Glycoside
GD084752
Name:
NoneFormula:
C18H22O7N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(Oc3cccnc3)nc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc(Oc2cccnc2)nc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.4 | Num_heavy_atoms: | 29 |
| TPSA: | 156.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD37897
Formula: C12H12O3N4
Smiles:
O=C(NCCO)c1cnc(Oc2cccnc2)nc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 97.23 | NumAromaticRings: | 2 |
