Glycoside
GD038315
Name:
(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosideFormula:
C21H41O8N5Smiles:
CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CN)CC[C@H]3NC(C)=O)[C@@H](N)C[C@H]2N)OC[C@@]1(C)OAglycone:
CC(=O)NC1CCC(CN)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -3.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.59 | Num_heavy_atoms: | 34 |
| TPSA: | 216.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD23965
Formula: C14H28O5N4
Smiles:
CC(=O)NC1CCC(CN)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.4 | Num_heavy_atoms: | 23 |
| TPSA: | 166.08 | NumAromaticRings: | 0 |
