Glycoside
...
GD120653

Name:
4-({amino[(3-hydroxypropyl)amino]methylidene}amino)-5-carboxylato-3-{2-[3-ethenyl-5-(methoxycarbonyl)-2-{[4,4,5-trihydroxy-6-(hydroxymethyl)-3-(propan-2-yloxy)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethenyl}-1-(2-hydroxyethyl)piperidin-1-ium-3-yl

Formula:
C32H48O14N4

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C(C(=O)OC)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NCCCO

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO

Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 11 FractionCSP3: 0.56
AlogP: -3.49 Num_rotatable_bonds: 17
MolWt: 712.75 Num_heavy_atoms: 50
TPSA: 276.75 NumAromaticRings: 0

Unique Aglycone
AD45374
Formula: C23H33O8N4

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NCCCO
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 0.43
AlogP: -2.23 Num_rotatable_bonds: 12
MolWt: 493.54 Num_heavy_atoms: 35
TPSA: 188.37 NumAromaticRings: 0

Sugarmoiety
SD04585

CC(C)OC1C(O)OC(CO)C(O)C1(O)O