Glycoside
GD146479
Name:
DalpatinFormula:
C24H24O12Smiles:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD52855
Formula: C18H14O7
Smiles:
COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
