Glycoside
GD020700
Name:
NoneFormula:
C24H26O12Smiles:
CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(C)c(O)c3C2(C)C1=OAglycone:
CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 200.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD14256
Formula: C18H16O7
Smiles:
CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 121.13 | NumAromaticRings: | 1 |
