Glycoside
GD015918
Name:
NoneFormula:
C26H34O7N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)OCC)cc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCOC(=O)COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 570.61 | Num_heavy_atoms: | 41 |
| TPSA: | 190.42 | NumAromaticRings: | 3 |
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 |
AD11515
Formula: C19H22O3N7
Smiles:
CCOC(=O)COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.43 | Num_heavy_atoms: | 29 |
| TPSA: | 120.27 | NumAromaticRings: | 2 |
