Glycoside
GD127945
Name:
NoneFormula:
C45H70O18Smiles:
CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2Aglycone:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 12 |
| MolWt: | 899.04 | Num_heavy_atoms: | 63 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD50683
Formula: C33H50O8
Smiles:
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)CO2| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.76 | Num_heavy_atoms: | 41 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
