Glycoside
GD140890
Name:
methyl 3-(4-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(2-hydroxy-6-methyl-5-methylideneheptan-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoateFormula:
C40H66O10Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(OC1OC(CO)C(O)C(O)C1OC(C)=O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)CAglycone:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)CSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 706.96 | Num_heavy_atoms: | 50 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49419
Formula: C32H54O4
Smiles:
C=C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C(C)(CCC(=O)OC)C(C(=C)C)CCC12C)C(C)C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.78 | Num_heavy_atoms: | 36 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
