Glycoside
GD039942
Name:
(2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamideFormula:
C27H50O11N6Smiles:
CN[C@@H]1[C@H](O)[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3OC(CNCCO)=CC[C@H]3NC(C)=O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@@]1(C)OAglycone:
CC(=O)NC1CC=C(CNCCO)OC1OC1C(N)CC(NC(=O)C(O)CCN)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -5.18 | Num_rotatable_bonds: | 14 |
| MolWt: | 634.73 | Num_heavy_atoms: | 44 |
| TPSA: | 272.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD24600
Formula: C20H37O8N5
Smiles:
CC(=O)NC1CC=C(CNCCO)OC1OC1C(N)CC(NC(=O)C(O)CCN)C(O)C1O| HBA: | 13 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | -4.26 | Num_rotatable_bonds: | 11 |
| MolWt: | 475.54 | Num_heavy_atoms: | 33 |
| TPSA: | 221.65 | NumAromaticRings: | 0 |
