Glycoside
GD115455
Name:
2,3,23-Trihydroxy-20-Ursen-28-Oic Acid; (2α,3β)-Form, 28-O-[α-L-Rhamnopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranosyl] EsterFormula:
C48H78O19Smiles:
CC1=CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CAglycone:
CC1=CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 959.13 | Num_heavy_atoms: | 67 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45675
Formula: C30H48O5
Smiles:
CC1=CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
