Glycoside
...
GD039276

Name:
(2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid

Formula:
C27H44O17N4

Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]2O[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 2
HBD: 11 FractionCSP3: 0.78
AlogP: -5.76 Num_rotatable_bonds: 16
MolWt: 696.66 Num_heavy_atoms: 48
TPSA: 329.07 NumAromaticRings: 0

Unique Aglycone
AD13111
Formula: C11H18O7N2

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.64
AlogP: -1.69 Num_rotatable_bonds: 8
MolWt: 290.27 Num_heavy_atoms: 20
TPSA: 153.03 NumAromaticRings: 0

Sugarmoiety
SD00093

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O