Glycoside
...
GD123739

Name:
5-[(5-{[5-({5-[(5-{[5-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4-triol

Formula:
C61H103O49N

Smiles:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C(O)C(O)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C2(CO)OC12

Aglycone:
NC1C(O)C(O)C(O)C2(CO)OC12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 50 RingCount: 11
HBD: 32 FractionCSP3: 1.0
AlogP: -22.41 Num_rotatable_bonds: 27
MolWt: 1634.45 Num_heavy_atoms: 111
TPSA: 808.6 NumAromaticRings: 0

Unique Aglycone
AD45438
Formula: C7H13O5N

Smiles:
NC1C(O)C(O)C(O)C2(CO)OC12
HBA: 6 RingCount: 2
HBD: 6 FractionCSP3: 1.0
AlogP: -3.46 Num_rotatable_bonds: 1
MolWt: 191.18 Num_heavy_atoms: 13
TPSA: 119.47 NumAromaticRings: 0

Sugarmoiety
SD06195

CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O