Glycoside
GD149674
Name:
Diospolysaponin AFormula:
C39H62O16Smiles:
CC1COC2(OC3CC4(O)C5CC=C6CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CC(O)C4(C)C3(O)C2C)C(O)C1Aglycone:
CC1COC2(OC3CC4(O)C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3(O)C2C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 786.91 | Num_heavy_atoms: | 55 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59837
Formula: C27H42O7
Smiles:
CC1COC2(OC3CC4(O)C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3(O)C2C)C(O)C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
