Glycoside
...
GD124221

Name:
5-{[6-(2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-hydroxyethyl)-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-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(1,2-dihydroxyethyl)-2,3,4-trihydroxyoxane-2-carboxylic acid

Formula:
C56H97O49N2P

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)OCCN)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:
NCCOP(=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: 51 RingCount: 8
HBD: 32 FractionCSP3: 0.96
AlogP: -19.83 Num_rotatable_bonds: 32
MolWt: 1613.33 Num_heavy_atoms: 108
TPSA: 836.33 NumAromaticRings: 0

Unique Aglycone
AD50172
Formula: C4H12O5NP

Smiles:
NCCOP(=O)(O)OCCO
HBA: 6 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.93 Num_rotatable_bonds: 6
MolWt: 185.12 Num_heavy_atoms: 11
TPSA: 102.01 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