Glycoside
...
GD134065

Name:
6-(1,2-dihydroxyethyl)-5-[(4-{[6-(1,2-dihydroxyethyl)-4-[(5-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-[1-hydroxy-2-(phosphonooxy)ethyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,3,4-trihydroxyoxane-2-carboxylic acid

Formula:
C54H92O49NP

Smiles:
CC(O)=NC1C(OC2C(CO)OC(OC3C(O)C(C(O)CO)OC(OC4C(O)C(OC5C(O)C(O)C(O)(C(=O)O)OC5C(O)CO)OC(C(O)COP(=O)(O)O)C4OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
O=P(O)(O)OCCO

Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(O)C(C(O)CO)OC(OC4C(O)C(OC5C(O)C(O)C(O)(C(=O)O)OC5C(O)CO)OC(O)C4OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 50 RingCount: 8
HBD: 31 FractionCSP3: 0.96
AlogP: -19.81 Num_rotatable_bonds: 29
MolWt: 1570.26 Num_heavy_atoms: 105
TPSA: 821.31 NumAromaticRings: 0

Unique Aglycone
AD01501
Formula: C2H7O5P

Smiles:
O=P(O)(O)OCCO
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 3
MolWt: 142.05 Num_heavy_atoms: 8
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD06281

CC(O)=NC1C(OC2C(CO)OC(OC3C(O)C(C(O)CO)OC(OC4C(O)C(OC5C(O)C(O)C(O)(C(=O)O)OC5C(O)CO)OC(O)C4OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O