Glycoside
GD137093
Name:
NoneFormula:
C23H34O7N2Smiles:
COC(=O)CC(C)(C)CC(O)=NCC1OC(CC(=O)N(C)Cc2ccccc2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(O)CC(C)(C)CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.61 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 450.53 | Num_heavy_atoms: | 32 |
| TPSA: | 128.89 | NumAromaticRings: | 1 |
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 |
AD50042
Formula: C9H17O3N
Smiles:
CN=C(O)CC(C)(C)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
