Glycoside
GD021085
Name:
NoneFormula:
C28H33O5N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCc6ccncc6)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(N2CCN(c3ccc(OCc4ccncc4)cc3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.63 | Num_heavy_atoms: | 42 |
| TPSA: | 177.01 | NumAromaticRings: | 4 |
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 |
AD14462
Formula: C21H21ON8
Smiles:
Nc1nc(N2CCN(c3ccc(OCc4ccncc4)cc3)CC2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.45 | Num_heavy_atoms: | 30 |
| TPSA: | 106.86 | NumAromaticRings: | 3 |
