Glycoside
GD000073
Name:
NoneFormula:
C23H29O11NSmiles:
CC(=O)[C@@H]1C[C@H](O)[C@H](Oc2ccc(C=C(C)C(=O)N[C@@H]3[C@H](O)[C@H](O)[C@@H]4OCO[C@H]4[C@H]3O)cc2O)O1Aglycone:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1OSugarmoiety:
CC(=O)C1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.48 | Num_heavy_atoms: | 35 |
| TPSA: | 184.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD00098
Formula: C17H21O8N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.35 | Num_heavy_atoms: | 26 |
| TPSA: | 148.71 | NumAromaticRings: | 1 |
