Glycoside
GD124340
Name:
NoneFormula:
C21H28O12Smiles:
CC1=CC2OC3C(OC4OC(C(=O)O)C(O)C(O)C4O)CC(C)(C34CO4)C2(CO)C(O)C1=OAglycone:
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 195.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD50224
Formula: C15H20O6
Smiles:
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
