Glycoside
GD138450
Name:
3a-methyl-8-methylidene-5-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]propan-2-yl}-decahydroazulen-6-yl 3-methylbutanoateFormula:
C25H42O7Smiles:
C=C1CC(OC(=O)CC(C)C)C(C(C)(C)OC2OCC(O)C(O)C2O)CC2(C)CCCC12Aglycone:
C=C1CC(OC(=O)CC(C)C)C(C(C)(C)O)CC2(C)CCCC12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.6 | Num_heavy_atoms: | 32 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD55883
Formula: C20H34O3
Smiles:
C=C1CC(OC(=O)CC(C)C)C(C(C)(C)O)CC2(C)CCCC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
