Glycoside
...
GD139358

Name:
3-{[5-({8-butyl-11,17,19,23-tetraoxahexacyclo[11.10.0.0²,¹⁰.0⁵,⁹.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,5(9),14(22),15,20-hexaen-4-yl}peroxy)-3,4,6-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid

Formula:
C32H36O14

Smiles:
CCCCC1CCc2c(OOC3C(O)OC(COC(=O)CC(=O)O)C(O)C3O)cc3c(c21)OCC1c2cc4c(cc2OC31)OCO4

Aglycone:
CCCCC1CCc2c(OO)cc3c(c21)OCC1c2cc4c(cc2OC31)OCO4.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 4 FractionCSP3: 0.56
AlogP: 2.38 Num_rotatable_bonds: 10
MolWt: 644.63 Num_heavy_atoms: 46
TPSA: 188.9 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
AD56193
Formula: C23H24O6

Smiles:
CCCCC1CCc2c(OO)cc3c(c21)OCC1c2cc4c(cc2OC31)OCO4
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.48
AlogP: 5.1 Num_rotatable_bonds: 4
MolWt: 396.44 Num_heavy_atoms: 29
TPSA: 66.38 NumAromaticRings: 2

Sugarmoiety
SD00017

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