Glycoside
GD155529
Name:
2-[(2,3-dihydroxy-4-{8-hydroxy-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-3-yl}cyclopentyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H28O9N4Smiles:
OCC1OC(OCC2CC(n3cnc4c3NC=NCC4O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC1CC(n2cnc3c2NC=NCC3O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.44 | Num_heavy_atoms: | 31 |
| TPSA: | 202.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD61693
Formula: C12H18O4N4
Smiles:
OCC1CC(n2cnc3c2NC=NCC3O)C(O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 123.13 | NumAromaticRings: | 1 |
