Glycoside
GD000429
Name:
NoneFormula:
C28H32O8N8Smiles:
CCOC(=O)c1ccc(CNC(=O)c2cnn(-c3nc(N[C@@H]4CCCO4)c4ncn([C@@H]5O[C@H](CO)[C@H](O)[C@H]5O)c4n3)c2)cc1Aglycone:
CCOC(=O)c1ccc(CNC(=O)c2cnn(-c3nc4c(c(NC5CCCO5)n3)N=C[N]4)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 608.61 | Num_heavy_atoms: | 44 |
| TPSA: | 208.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD00477
Formula: C23H23O4N8
Smiles:
CCOC(=O)c1ccc(CNC(=O)c2cnn(-c3nc4c(c(NC5CCCO5)n3)N=C[N]4)c2)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 475.49 | Num_heavy_atoms: | 35 |
| TPSA: | 146.72 | NumAromaticRings: | 3 |
