Glycoside
GD013576
Name:
NoneFormula:
C25H35O15NSmiles:
CC(=O)NC1C(O)CC(C(=O)O)([C@H](O)C2C(O)C(CO)OC(OC(=O)c3ccccc3)C2O)OC1C(O)C(O)COAglycone:
CC(=O)NC1C(O)CC(CO)(C(=O)O)OC1C(O)C(O)CO.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -4.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 589.55 | Num_heavy_atoms: | 41 |
| TPSA: | 273.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD10106
Formula: C12H21O9N
Smiles:
CC(=O)NC1C(O)CC(CO)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
