Glycoside
GD126065
Name:
Polygonatoside CFormula:
C39H60O15Smiles:
CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C32C)OC12CCC(CO)CO2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12CCC(CO)CO2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 768.89 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD08012
Formula: C27H40O5
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C32C)OC12CCC(CO)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
