Glycoside
GD033652
Name:
RothindinFormula:
C22H20O10Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.39 | Num_heavy_atoms: | 32 |
| TPSA: | 148.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD04500
Formula: C16H10O5
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.25 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
