Glycoside
GD128503
Name:
Alpindenoside AFormula:
C32H48O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C5=C(CCC4C3(C)C)COC(C3=CC(=O)OC3)C5)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)C(C)(C)C1CCC1=C2CC(C2=CC(=O)OC2)OC1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD52050
Formula: C20H28O4
Smiles:
CC12CCC(O)C(C)(C)C1CCC1=C2CC(C2=CC(=O)OC2)OC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
