Glycoside
GD147927
Name:
2-[(3,5-diamino-2-{[3-amino-6-(aminomethyl)-3,6-dihydro-2H-pyran-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C17H32O8N4Smiles:
NCC1C=CC(N)C(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)O1Aglycone:
NCC1C=CC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.88 |
| AlogP: | -4.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.46 | Num_heavy_atoms: | 29 |
| TPSA: | 221.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD59221
Formula: C12H24O4N4
Smiles:
NCC1C=CC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.35 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
