Glycoside
...
GD139117

Name:
4-{[amino(methylamino)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:
C30H44O13N4

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 10 FractionCSP3: 0.53
AlogP: -3.25 Num_rotatable_bonds: 14
MolWt: 668.7 Num_heavy_atoms: 47
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
SD04585

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