Glycoside
GD149719
Name:
2-{[9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.0³,â·]tetradeca-1,6-dien-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H44O9Smiles:
COCC1(O)CCC2C1=CC1(C)CCC(C(C)C)=C1C(OC1OC(CO)C(O)C(O)C1O)C(O)C2CAglycone:
COCC1(O)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.64 | Num_heavy_atoms: | 36 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52053
Formula: C21H34O4
Smiles:
COCC1(O)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2C| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
