Glycoside
GD139001
Name:
(25S)-5Beta-Spirostane-3Beta-Ol 3-O-Alpha-L-Rhamnopyranosyl-(1-2)-Beta-D-+Formula:
C45H74O17Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 887.07 | Num_heavy_atoms: | 62 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
