Glycoside
GD125394
Name:
3,21-Dihydroxy-12-Oleanen-28-Oic Acid; (3β,21β)-Form, 3-O-[α-L-Rhamnopyranosyl-(1->3)-β-D-Glucuronopyranoside], 28-O-β-D-Glucopyranosyl EsterFormula:
C48H76O19Smiles:
CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)CC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OC(C(=O)O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 957.12 | Num_heavy_atoms: | 67 |
| TPSA: | 312.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD45657
Formula: C30H48O4
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
