Glycoside
GD114902
Name:
Furostane-3,22,26-Triol; (3β,5β,22ζ,25S)-Form, 3-O-[β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranosyl-(1->2)-[β-D-Xylopyranosyl-(1->3)]-β-D-Glucopyranosyl-(1->4)-β-DFormula:
C62H104O33Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(OC7OCC(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4OC4OCC(O)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 11 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -7.67 | Num_rotatable_bonds: | 21 |
| MolWt: | 1377.48 | Num_heavy_atoms: | 95 |
| TPSA: | 524.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD01789
Formula: C27H46O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
Sugarmoiety
SD04490
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4OC4OCC(O)C(O)C4O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O