Glycoside
GD000542
Name:
NoneFormula:
C21H24O9N4Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc2ccccc2c(=O)[nH]1)OC(C)=OAglycone:
C=NNc1nc2ccccc2c(=O)[nH]1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 476.44 | Num_heavy_atoms: | 34 |
| TPSA: | 175.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00595
Formula: C9H8ON4
Smiles:
C=NNc1nc2ccccc2c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.19 | Num_heavy_atoms: | 14 |
| TPSA: | 70.14 | NumAromaticRings: | 2 |
