Glycoside
GD004893
Name:
CYANIDIN-3-GLUCOSYLRUTINOSIDEFormula:
C33H41O20Smiles:
C[C@@H]1O[C@H](OC[C@@H]2OC(OC[C@@H]3OC(Oc4cc5c(O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1Sugarmoiety:
CC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 757.67 | Num_heavy_atoms: | 53 |
| TPSA: | 329.67 | 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 |
