Glycoside
GD116212
Name:
NoneFormula:
C23H29O6N3Smiles:
COc1cccc(NC(O)=NCC2OC(CC(=O)N(C)Cc3ccccc3)C(O)C2O)c1Aglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(O)Nc1cccc(OC)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.5 | Num_heavy_atoms: | 32 |
| TPSA: | 123.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD45546
Formula: C9H12O2N2
Smiles:
CN=C(O)Nc1cccc(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 53.85 | NumAromaticRings: | 1 |
