Glycoside
GD016057
Name:
NoneFormula:
C27H27O8N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc6c(c5)OCO6)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.55 | Num_heavy_atoms: | 42 |
| TPSA: | 191.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD11605
Formula: C20H15O4N6
Smiles:
O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc2c(c1)OCO2| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.38 | Num_heavy_atoms: | 30 |
| TPSA: | 121.06 | NumAromaticRings: | 3 |
