Glycoside
GD010467
Name:
NoneFormula:
C23H27O10N3Smiles:
CC(=O)OCC1OC(N2C(=O)CC(N)=Nc3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC1=Nc2ccccc2NC(=O)C1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 505.48 | Num_heavy_atoms: | 36 |
| TPSA: | 173.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD08077
Formula: C9H9ON3
Smiles:
NC1=Nc2ccccc2NC(=O)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 67.48 | NumAromaticRings: | 1 |
