Glycoside
GD095042
Name:
NoneFormula:
C21H26O8N4Smiles:
COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2Aglycone:
COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.46 | Num_heavy_atoms: | 33 |
| TPSA: | 175.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD40604
Formula: C15H18O2N4
Smiles:
COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCNCC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.34 | Num_heavy_atoms: | 21 |
| TPSA: | 69.04 | NumAromaticRings: | 2 |
