Glycoside
GD024125
Name:
NoneFormula:
C22H29O9N5Smiles:
CCC(=O)Nc1nc2c(ncn2C2OC(COC(=O)CC)C(OC(=O)CC)C2OC(=O)CC)c(=O)[nH]1Aglycone:
CCC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.CCC(=O)O.CCC(=O)O.CCC(=O)OCSugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 507.5 | Num_heavy_atoms: | 36 |
| TPSA: | 180.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD16140
Formula: C8H8O2N5
Smiles:
CCC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.19 | Num_heavy_atoms: | 15 |
| TPSA: | 101.31 | NumAromaticRings: | 1 |
