Glycoside
GD117273
Name:
Dalspinin 7-O-GalactosideFormula:
C23H22O12Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OAglycone:
COc1c(O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD46734
Formula: C17H12O7
Smiles:
COc1c(O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 328.28 | Num_heavy_atoms: | 24 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
