Glycoside
GD122653
Name:
Agamenoside HFormula:
C39H64O16Smiles:
CC1COC2(OC3CC4C5CC(OC6OC(CO)C(O)C(O)C6O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 788.93 | Num_heavy_atoms: | 55 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD49444
Formula: C27H44O6
Smiles:
CC1COC2(OC3CC4C5CC(O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
