Glycoside
GD131987
Name:
2-{[7-ethenyl-5,8a-dihydroxy-4a-(hydroxymethyl)-1,1,7-trimethyl-tetradecahydrophenanthren-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H44O9Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(OC1OC(CO)C(O)C(O)C1O)CC1C(C)(C)CCCC12COAglycone:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)CCCC12COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.63 | Num_heavy_atoms: | 35 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD53446
Formula: C20H34O4
Smiles:
C=CC1(C)CC(O)C2C(O)(C1)C(O)CC1C(C)(C)CCCC12CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.49 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
