Glycoside
GD000186
Name:
NoneFormula:
C25H33O4N7Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(NCCC4CNc5ccccc54)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NC2CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.58 | Num_heavy_atoms: | 36 |
| TPSA: | 149.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD00224
Formula: C20H24N7
Smiles:
C1=Nc2c(nc(NCCC3CNc4ccccc43)nc2NC2CCCC2)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.46 | Num_heavy_atoms: | 27 |
| TPSA: | 88.33 | NumAromaticRings: | 2 |
