Glycoside
GD133391
Name:
2-{[7-hydroxy-4-(5-hydroxy-3-methylpent-3-en-1-yl)-4a,8,8-trimethyl-3-methylidene-decahydronaphthalen-2-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O7Smiles:
C=C1C(OC2OCC(O)C(O)C2O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOAglycone:
C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCOSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.6 | Num_heavy_atoms: | 32 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD44489
Formula: C20H34O3
Smiles:
C=C1C(O)CC2C(C)(C)C(O)CCC2(C)C1CCC(C)=CCO| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
