Glycoside
GD119427
Name:
1,2,3,19-Tetrahydroxy-12-Ursen-28-Oic Acid; (1β,2α,3β,19α)-Form, 28-O-[β-D-Glucopyranosyl-(1->2)-β-D-Glucopyranosyl] EsterFormula:
C42H68O16Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 828.99 | Num_heavy_atoms: | 58 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD47845
Formula: C30H48O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
