Glycoside
...
GD132028

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

Formula:
C39H40O13N2

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(Cc5ccccc5)C4)c3O)[OH+]2)C=C1

Aglycone:
C[O+]=C1C=CC(=C2C=C(O)c3c(cc(O)c(OC4(O)CCCC(Cc5ccccc5)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: 15 RingCount: 7
HBD: 7 FractionCSP3: 0.36
AlogP: 2.11 Num_rotatable_bonds: 9
MolWt: 744.75 Num_heavy_atoms: 54
TPSA: 238.34 NumAromaticRings: 3

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
AD53457
Formula: C29H30O7

Smiles:
C[O+]=C1C=CC(=C2C=C(O)c3c(cc(O)c(OC4(O)CCCC(Cc5ccccc5)C4)c3O)[OH+]2)C=C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.28
AlogP: 4.87 Num_rotatable_bonds: 4
MolWt: 490.55 Num_heavy_atoms: 36
TPSA: 114.25 NumAromaticRings: 2

Sugarmoiety
SD04619

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