Glycoside
...
GD130076

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

Formula:
C60H102O49N3P

Smiles:
CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(O)C(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)OC(C(O)CO)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5N=C(C)O)C4O)C(O)C3O)OC(C(CO)OP(=O)(O)OCCN)C(O)C2O)C1N=C(C)O

Aglycone:
NCCOP(=O)(O)OCCO

Sugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(O)C(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)OC(C(O)CO)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5N=C(C)O)C4O)C(O)C3O)OC(O)C(O)C2O)C1N=C(C)O

Other Identifiers

Properties
HBA: 52 RingCount: 8
HBD: 30 FractionCSP3: 0.93
AlogP: -17.25 Num_rotatable_bonds: 34
MolWt: 1680.42 Num_heavy_atoms: 113
TPSA: 834.53 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
SD05858

CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(O)C(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)OC(C(O)CO)C3OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5N=C(C)O)C4O)C(O)C3O)OC(O)C(O)C2O)C1N=C(C)O