Glycoside
GD146262
Name:
Sanguidioside AFormula:
C72H110O23Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)OC%10OC(CO)C(O)C(O)C%10O)(CCC(C)C9(C)O)CCC78C)C6(C)C(=O)O)C5CCC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)O)(CCC(C)C9(C)O)CCC78C)C6(C)C(=O)O)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 12 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 1343.65 | Num_heavy_atoms: | 95 |
| TPSA: | 397.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD58661
Formula: C60H90O13
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)O)(CCC(C)C9(C)O)CCC78C)C6(C)C(=O)O)C5CCC43C)C2C1(C)O| HBA: | 13 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 8.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 1019.37 | Num_heavy_atoms: | 73 |
| TPSA: | 239.35 | NumAromaticRings: | 0 |
