Glycoside
GD100998
Name:
NoneFormula:
C23H31O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)N[C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C(Nc1ncnc2c1N=C[N]2)NC12CC3CC(CC(C3)C1)C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 485.55 | Num_heavy_atoms: | 35 |
| TPSA: | 163.52 | NumAromaticRings: | 2 |
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 |
AD42690
Formula: C16H19ON6
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)NC12CC3CC(CC(C3)C1)C2| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 311.37 | Num_heavy_atoms: | 23 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
