Glycoside
GD142822
Name:
(25r)-6alpha-hydroxy-5alpha-spirostan-3beta-yl o-beta-d-xylopyranosyl-(1-+Formula:
C55H90O27Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3C1(C)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3C1(C)C2CSugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 11 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 1183.3 | Num_heavy_atoms: | 82 |
| TPSA: | 414.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57468
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3C1(C)C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
Sugarmoiety
SD01317
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O