Glycoside
GD005549
Name:
NoneFormula:
C30H30O10N8Smiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NNc1nc2ccccc2c(=O)[nH]1)=NNc1nc2ccccc2c(=O)[nH]1Aglycone:
O=c1[nH]c(NN=CC=NNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 662.62 | Num_heavy_atoms: | 48 |
| TPSA: | 245.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD04704
Formula: C18H14O2N8
Smiles:
O=c1[nH]c(NN=CC=NNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.36 | Num_heavy_atoms: | 28 |
| TPSA: | 140.28 | NumAromaticRings: | 4 |
