Glycoside
...
GD131226

Name:
7-({6-carboxylato-3,4,5-trihydroxy-5-[(4H-imidazol-4-ylium-5-yl)methyl]oxan-2-yl}oxy)-4,5-dihydroxy-6-{[1-hydroxy-3-(2-hydroxyethyl)cyclohexyl]oxy}-2-(4-methoxycyclohexyl)-decahydro-1-benzopyran-1-ium-2-yl

Formula:
C34H38O14N2

Smiles:
C[O+]=C1C=CC(=C2C=C(O)c3c(cc(OC4OC(C([O])=O)C(O)(Cc5c[n-][cH+][n-]5)C(O)C4O)c(OC4(O)CCCC(CCO)C4)c3O)[OH+]2)C=C1

Aglycone:
C[O+]=C1C=CC(=C2C=C(O)c3c(cc(O)c(OC4(O)CCCC(CCO)C4)c3O)[OH+]2)C=C1.Cc1c[n-][cH+][n-]1

Sugarmoiety:
[O]C(=O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.44
AlogP: 0.25 Num_rotatable_bonds: 9
MolWt: 698.68 Num_heavy_atoms: 50
TPSA: 258.57 NumAromaticRings: 2

Unique Aglycone
AD45659
Formula: C4H5N2

Smiles:
Cc1c[n-][cH+][n-]1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 0.19 Num_rotatable_bonds: 0
MolWt: 81.1 Num_heavy_atoms: 6
TPSA: 28.2 NumAromaticRings: 1
AD53173
Formula: C24H28O8

Smiles:
C[O+]=C1C=CC(=C2C=C(O)c3c(cc(O)c(OC4(O)CCCC(CCO)C4)c3O)[OH+]2)C=C1
HBA: 8 RingCount: 4
HBD: 6 FractionCSP3: 0.38
AlogP: 3.01 Num_rotatable_bonds: 4
MolWt: 444.48 Num_heavy_atoms: 32
TPSA: 134.48 NumAromaticRings: 1

Sugarmoiety
SD04619

[O]C(=O)C1OC(O)C(O)C(O)C1(O)O