Glycoside
GD097453
Name:
NoneFormula:
C21H23O9N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4C[C@@H]5C[C@H]4C(=O)O5)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1OC2CC1N(c1ncnc3c1N=C[N]3)C2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.44 | Num_heavy_atoms: | 35 |
| TPSA: | 161.27 | NumAromaticRings: | 2 |
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 |
AD41448
Formula: C10H8O2N5
Smiles:
O=C1OC2CC1N(c1ncnc3c1N=C[N]3)C2| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 230.21 | Num_heavy_atoms: | 17 |
| TPSA: | 81.78 | NumAromaticRings: | 1 |
