(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(thiophen-2-yl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one | C32H32O13S | 29767-20-2 | MFCD00866516 | COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](O)[C@H]2O)C2=CC=CS2)C2=CC3=C(OCO3)C=C12 | 10486, 14425, 28432, 29767-20-2, 41048, 65407, A102576, AA00I5FJ, AG00I5IB, AI46747, AOS00I5IB, AP29767202, AQ46747, AR00I67B, BB4LS-BD152568, BD152568, BT164452, CD31002369, CSC116206870, E655, EN300-7481406, F792701, FT09381, HY-13761, KS-5147, LN01327320, S1787, SC-15960, T018400, T1523 | Chemspace

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Home CSMB00116206870

Structure Info

Chemspace ID: CSMB00116206870 (Enamine MADE)

CAS: 29767-20-2

MFCD: MFCD00866516

IUPAC Name: (10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(thiophen-2-yl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

Mol formula: C₃₂H₃₂O₁₃S

Mol weight: 657 Da

Catalog Number(s): 10486, 14425, 28432, 29767-20-2, 41048, 65407, A102576, AA00I5FJ, AG00I5IB, AI46747, AOS00I5IB, AP29767202, AQ46747, AR00I67B, BB4LS-BD152568, BD152568, BT164452, CD31002369, CSC116206870, E655, EN300-7481406, F792701, FT09381, HY-13761, KS-5147, LN01327320, S1787, SC-15960, T018400, T1523

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INCHI
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Properties
SDS

Properties

LogP: 2.78

Heavy atoms count: 46

Rotatable bond count: 6

Number of rings: 8

Carbon bond saturation, Fsp3: 0.468

Polar surface area (Å): 161

Hydrogen bond acceptors count: 12

Hydrogen bond donors count: 3

: Zoom the structure; CSMB00116206870

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