Glycoside
...
GD120232

Name:
3-oxo-3-[(3,4,6-trihydroxy-5-{[9-(2-methylpropyl)-17-pentyl-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13,15,17-hexaen-15-yl]peroxy}oxan-2-yl)methoxy]propanoic acid

Formula:
C34H42O14

Smiles:
CCCCCc1cc(OOC2C(O)OC(COC(=O)CC(=O)O)C(O)C2O)cc2c1OCC1c3cc4c(c(CC(C)C)c3OC21)OCO4

Aglycone:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(c(CC(C)C)c3OC21)OCO4.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 4 FractionCSP3: 0.59
AlogP: 3.09 Num_rotatable_bonds: 13
MolWt: 674.7 Num_heavy_atoms: 48
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
AD47061
Formula: C25H30O6

Smiles:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(c(CC(C)C)c3OC21)OCO4
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.52
AlogP: 5.81 Num_rotatable_bonds: 7
MolWt: 426.51 Num_heavy_atoms: 31
TPSA: 66.38 NumAromaticRings: 2

Sugarmoiety
SD00017

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