Glycoside
GD010034
Name:
NoneFormula:
C30H26O16Smiles:
CC(=O)Oc1ccc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=OAglycone:
CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=O.CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=OSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 642.52 | Num_heavy_atoms: | 46 |
| TPSA: | 232.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD03988
Formula: C13H12O5
Smiles:
CC(=O)Oc1ccc(C=CC=O)cc1OC(C)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 69.67 | NumAromaticRings: | 1 |
