Glycoside
GD131734
Name:
Quadranoside IxFormula:
C43H62O16Smiles:
CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.77 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 834.95 | Num_heavy_atoms: | 59 |
| TPSA: | 284.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD53356
Formula: C37H52O11
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(COC(=O)c6cc(O)c(O)c(O)c6)C5C(O)CC43C)C2C1(C)O| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 672.81 | Num_heavy_atoms: | 48 |
| TPSA: | 205.21 | NumAromaticRings: | 1 |
