Glycoside
GD001753
Name:
CYANINFormula:
C27H31O16Smiles:
OC[C@@H]1O[C@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 611.53 | Num_heavy_atoms: | 43 |
| TPSA: | 270.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD01529
Formula: C15H11O6
Smiles:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.25 | Num_heavy_atoms: | 21 |
| TPSA: | 112.45 | NumAromaticRings: | 3 |
