Glycoside
GD003575
Name:
2-[(4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C21H41O7N5Smiles:
CCN[C@@H]1C[C@H](N)[C@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1OAglycone:
CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 475.59 | Num_heavy_atoms: | 33 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD03233
Formula: C14H28O4N4
Smiles:
CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.4 | Num_heavy_atoms: | 22 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
