Glycoside
GD033545
Name:
NoneFormula:
C38H42O8N4Smiles:
CNC(=O)[C@@H](NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(=O)NC)c1ccccc1)c1ccccc1Aglycone:
CNC(=O)C(N)c1ccccc1.CNC(=O)C(N)c1ccccc1.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: | 0.26 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 17 |
| MolWt: | 682.77 | Num_heavy_atoms: | 50 |
| 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 |
AD21400
Formula: C9H12ON2
Smiles:
CNC(=O)C(N)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
