Glycoside
GD022893
Name:
NoneFormula:
C29H33O8N7Smiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4ccc(CNC(=O)c5cc(OC)c(OC)c(OC)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1cc(C(=O)NCc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(OC)c1OCSugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 607.62 | Num_heavy_atoms: | 44 |
| TPSA: | 191.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD15464
Formula: C23H23O4N6
Smiles:
COc1cc(C(=O)NCc2ccc(CNc3ncnc4c3N=C[N]4)cc2)cc(OC)c1OC| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 447.48 | Num_heavy_atoms: | 33 |
| TPSA: | 121.06 | NumAromaticRings: | 3 |
