Glycoside
GD022723
Name:
NoneFormula:
C31H35O9N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(C)=O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(=O)Oc1ccc(NC(=O)CCc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc1[N+](=O)[O-].CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 677.68 | Num_heavy_atoms: | 49 |
| TPSA: | 258.98 | 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 |
AD15371
Formula: C24H23O5N8
Smiles:
CC(=O)Oc1ccc(NC(=O)CCc2ccc(CCNc3nc(N)c4c(n3)[N]C=N4)cc2)cc1[N+](=O)[O-]| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 503.5 | Num_heavy_atoms: | 37 |
| TPSA: | 188.83 | NumAromaticRings: | 3 |
