Glycoside
GD145167
Name:
3β-O-[α-L-Rhamnopyranosyl-(1†’2)-O-β-D-Glucopyranosyl-(1†’2)-O-β-D-Glucopyranosyl]-28-O-β-D-Glucopyranoside PomolateFormula:
C54H88O23Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C(=O)OC8OC(CO)C(O)C(O)C8O)(CCC(C)C7(C)O)CCC56C)C4(C)C)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.94 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 1105.28 | Num_heavy_atoms: | 77 |
| TPSA: | 374.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD03080
Formula: C30H48O4
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O| 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 |
