Glycoside
GD119718
Name:
6-{[3,8-dimethyl-5-(propan-2-yl)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H34O7Smiles:
CC1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)C2C(C)CCC(C(C)C)C2C1Aglycone:
CC1=CC(O)C2C(C)CCC(C(C)C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48020
Formula: C15H26O
Smiles:
CC1=CC(O)C2C(C)CCC(C(C)C)C2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
