Glycoside
GD148284
Name:
NoneFormula:
C42H68O12Smiles:
CC1CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD59346
Formula: C37H60O8
Smiles:
CC1CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
