Glycoside
...
GD148508

Name:
7-carboxy-4-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3-(3,4-dihydroxycyclohexyl)-11-hydroxy-2,8-dioxatricyclo[7.3.1.0⁵,¹³]tridecan-2-ium-3-yl

Formula:
C27H24O16

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc4c3C2=C[C](C(=O)O)O4)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C(O)C1C=C2C(O)=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc(c32)O1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 9 FractionCSP3: 0.26
AlogP: -0.34 Num_rotatable_bonds: 8
MolWt: 604.47 Num_heavy_atoms: 43
TPSA: 262.77 NumAromaticRings: 2

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD50562
Formula: C18H13O8

Smiles:
O=C(O)C1C=C2C(O)=C(c3ccc(O)c(O)c3)[OH+]c3cc(O)cc(c32)O1
HBA: 8 RingCount: 4
HBD: 6 FractionCSP3: 0.06
AlogP: 2.21 Num_rotatable_bonds: 2
MolWt: 357.29 Num_heavy_atoms: 26
TPSA: 140.25 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O