Glycoside
...
GD135849

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

Formula:
C29H42O13N4

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCC)OC=C(C(=O)OC)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=N[C](N)NC

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

Sugarmoiety:
CCOC1C(O)OC(CO)C(O)C1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 10 FractionCSP3: 0.52
AlogP: -3.64 Num_rotatable_bonds: 14
MolWt: 654.67 Num_heavy_atoms: 46
TPSA: 256.52 NumAromaticRings: 0

Unique Aglycone
AD48486
Formula: C21H29O7N4

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=C[NH+](CCO)C=C(C(=O)O)C1=NC(N)NC
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.38
AlogP: -1.99 Num_rotatable_bonds: 9
MolWt: 449.48 Num_heavy_atoms: 32
TPSA: 168.14 NumAromaticRings: 0

Sugarmoiety
SD05651

CCOC1C(O)OC(CO)C(O)C1(O)O