Glycoside
GD121882
Name:
2-{[2,4-diamino-5-({3-amino-6-[(dimethylamino)methyl]oxan-2-yl}oxy)-3,6-dihydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diolFormula:
C21H43O8N5Smiles:
CNC1C(O)C(OC2C(N)C(O)C(N)C(OC3OC(CN(C)C)CCC3N)C2O)OCC1(C)OAglycone:
CN(C)CC1CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.6 | Num_heavy_atoms: | 34 |
| TPSA: | 211.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD49083
Formula: C14H30O5N4
Smiles:
CN(C)CC1CCC(N)C(OC2C(N)C(O)C(N)C(O)C2O)O1| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.42 | Num_heavy_atoms: | 23 |
| TPSA: | 160.45 | NumAromaticRings: | 0 |
