Glycoside
GD090648
Name:
NoneFormula:
C20H21O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc5c(c4)CC(=O)N5)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C1Cc2cc(Nc3ncnc4c3N=C[N]4)ccc2N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.43 | Num_heavy_atoms: | 32 |
| TPSA: | 163.52 | 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 |
AD39447
Formula: C13H9ON6
Smiles:
O=C1Cc2cc(Nc3ncnc4c3N=C[N]4)ccc2N1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.26 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
