Glycoside
GD021897
Name:
NoneFormula:
C40H46O8N4Smiles:
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCAglycone:
CNC(=O)C(N)Cc1ccccc1.CNC(=O)C(N)Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 19 |
| MolWt: | 710.83 | Num_heavy_atoms: | 52 |
| TPSA: | 175.32 | NumAromaticRings: | 4 |
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 |
AD13379
Formula: C10H14ON2
Smiles:
CNC(=O)C(N)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.24 | Num_heavy_atoms: | 13 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
