Glycoside
...
GD152598

Name:
2-[(2-{[6-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:
C51H85O39N3

Smiles:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O5)C4O)C(O)C3N=C(C)O)C2O)C1O

Aglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(N=C(C)O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 6
HBD: 25 FractionCSP3: 0.9
AlogP: -14.28 Num_rotatable_bonds: 29
MolWt: 1364.22 Num_heavy_atoms: 93
TPSA: 687.73 NumAromaticRings: 0

Unique Aglycone
AD44972
Formula: C11H19O9N

Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.03 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 180.27 NumAromaticRings: 0

Sugarmoiety
SD10034

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C(N=C(C)O)C3O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O