Glycoside
GD027826
Name:
NoneFormula:
C38H40O8N4F2Smiles:
CNC(=O)C(NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC(C(=O)NC)c1cccc(F)c1)c1cccc(F)c1Aglycone:
CNC(=O)C(N)c1cccc(F)c1.CNC(=O)C(N)c1cccc(F)c1.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: | 2.36 | Num_rotatable_bonds: | 17 |
| MolWt: | 718.75 | 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 |
AD18244
Formula: C9H11ON2F
Smiles:
CNC(=O)C(N)c1cccc(F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.2 | Num_heavy_atoms: | 13 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
