Glycoside
GD115743
Name:
Quadranoside ViFormula:
C36H56O11Smiles:
CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1Aglycone:
CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C3(C)CCC2(C(=O)O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45846
Formula: C30H46O6
Smiles:
CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC4(C)C3(C)CCC2(C(=O)O)CC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
