Glycoside
GD025960
Name:
NoneFormula:
C22H25O5N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(OCCc4c[nH]c5ccccc45)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 467.49 | Num_heavy_atoms: | 34 |
| TPSA: | 173.43 | 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 |
AD05637
Formula: C15H13ON6
Smiles:
Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.31 | Num_heavy_atoms: | 22 |
| TPSA: | 103.28 | NumAromaticRings: | 3 |
