Glycoside
GD026107
Name:
ARISTOMANOSIDEFormula:
C31H41O15NSmiles:
COc1cc(C=CC(=O)NCCc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=CC(=O)NCCc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 13 |
| MolWt: | 667.66 | Num_heavy_atoms: | 47 |
| TPSA: | 246.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD17235
Formula: C19H21O5N
Smiles:
COc1cc(C=CC(=O)NCCc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 343.38 | Num_heavy_atoms: | 25 |
| TPSA: | 88.02 | NumAromaticRings: | 2 |
