Glycoside
GD021227
Name:
NoneFormula:
C24H24O10Smiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2cc(O)c3c(=O)c(-c4ccc5c(c4)OCO5)coc3c2)OC1(C)CAglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.45 | Num_heavy_atoms: | 34 |
| TPSA: | 137.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD14543
Formula: C16H10O6
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
