Glycoside
GD140398
Name:
28-O-β-D-Glucopyranosyl Ester Of 29-Hydroxyplatanic AcidFormula:
C35H56O10Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3C(C(=O)CO)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC21CAglycone:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3C(C(=O)CO)CCC3(C(=O)O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD56614
Formula: C29H46O5
Smiles:
CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3C(C(=O)CO)CCC3(C(=O)O)CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
