Glycoside
GD101294
Name:
NoneFormula:
C22H31O6N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N=C4CCN(C(=O)OC(C)(C)C)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CCC(=Nc2ncnc3c2N=C[N]3)CC1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 489.53 | Num_heavy_atoms: | 35 |
| TPSA: | 164.29 | 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 |
AD42859
Formula: C15H19O2N6
Smiles:
CC(C)(C)OC(=O)N1CCC(=Nc2ncnc3c2N=C[N]3)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 315.36 | Num_heavy_atoms: | 23 |
| TPSA: | 94.14 | NumAromaticRings: | 1 |
