Glycoside
GD117598
Name:
2,3,19-Trihydroxy-12-Oleanen-28-Oic Acid; (2α,3α,19α)-Form, 3-Ketone, 28-O-[α-L-Rhamnopyranosyl-(1->4)-β-D-Glucopyranosyl] EsterFormula:
C42H66O14Smiles:
CC1OC(OC2C(CO)OC(OC(=O)C34CCC(C)(C)C(O)C3C3=CCC5C6(C)CC(O)C(=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46911
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
