Glycoside
GD004620
Name:
NoneFormula:
C29H28O17Smiles:
CC(=O)Oc1cc(-c2oc3cc(OC(C)=O)c(C4OC(CO)C(O)C(O)C4O)c(OC(C)=O)c3c(=O)c2O)c(OC(C)=O)cc1OAglycone:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3cc(OC(C)=O)c(O)cc3OC(C)=O)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.34 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.53 | Num_heavy_atoms: | 46 |
| TPSA: | 266.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD04010
Formula: C23H18O12
Smiles:
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3cc(OC(C)=O)c(O)cc3OC(C)=O)oc2c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.39 | Num_heavy_atoms: | 35 |
| TPSA: | 175.87 | NumAromaticRings: | 3 |
