Glycoside
GD022043
Name:
NoneFormula:
C30H42O10N4Smiles:
CNC(=O)C(NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(=O)NC)[C@H](C)O)[C@H](C)OAglycone:
CNC(=O)C(N)C(C)O.CNC(=O)C(N)C(C)O.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 17 |
| MolWt: | 618.68 | Num_heavy_atoms: | 44 |
| TPSA: | 215.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD14988
Formula: C5H12O2N2
Smiles:
CNC(=O)C(N)C(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
