Glycoside
GD148937
Name:
6-acetyl-8-(acetyloxy)-14-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,â·.0¹¹,¹â¶]octadecan-9-yl 2-(4-hydroxyphenyl)acetateFormula:
C45H64O15Smiles:
COC1CC(OC2CCC3(C)C(CCC45OC46CCC(C(C)=O)C6(C)C(OC(C)=O)C(OC(=O)Cc4ccc(O)cc4)C35)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC(=O)OC1C(OC(=O)Cc2ccc(O)cc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 844.99 | Num_heavy_atoms: | 60 |
| TPSA: | 198.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD59571
Formula: C31H40O8
Smiles:
CC(=O)OC1C(OC(=O)Cc2ccc(O)cc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.65 | Num_heavy_atoms: | 39 |
| TPSA: | 122.66 | NumAromaticRings: | 1 |
