Glycoside
GD021840
Name:
NoneFormula:
C30H34O4N8Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCC(c4ccccc4)c4ccccc4)nc(NCCc4cnc[nH]4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCc3cnc[nH]3)nc2NCCC(c2ccccc2)c2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 12 |
| MolWt: | 570.65 | Num_heavy_atoms: | 42 |
| TPSA: | 166.26 | NumAromaticRings: | 5 |
Unique Aglycone
AD14870
Formula: C25H25N8
Smiles:
C1=Nc2c(nc(NCCc3cnc[nH]3)nc2NCCC(c2ccccc2)c2ccccc2)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.53 | Num_heavy_atoms: | 33 |
| TPSA: | 104.98 | NumAromaticRings: | 4 |
