Glycoside
GD131475
Name:
(25s)-26-(beta-d-glucopyranosyloxy)-3-oxo-22alpha-methoxy-5alpha-furostan+Formula:
C39H64O14Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OCC(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 756.93 | Num_heavy_atoms: | 53 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD20114
Formula: C28H46O5
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.67 | Num_heavy_atoms: | 33 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
