Glycoside
GD114592
Name:
(25s)-26-(beta-d-glucopyranosyloxy)-3beta-hydroxy-22alpha-methoxy-5alpha-+Formula:
C46H78O19Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 935.11 | Num_heavy_atoms: | 65 |
| TPSA: | 296.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD10016
Formula: C28H48O5
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.69 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
