Glycoside
GD114786
Name:
16,23-Epoxy-5Beta-Cholestane TriglycosideFormula:
C45H74O17Smiles:
CC(C)=CC1OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C(C)C1OAglycone:
CC(C)=CC1OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C(C)C1OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 887.07 | Num_heavy_atoms: | 62 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45282
Formula: C27H44O3
Smiles:
CC(C)=CC1OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C(C)C1O| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
