Glycoside
...
GD140771

Name:
3-oxo-3-[(3,4,6-trihydroxy-5-{[6-(hydroxymethyl)-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:
C31H36O15

Smiles:
CCCCCc1cc(OOC2C(O)OC(COC(=O)CC(=O)O)C(O)C2O)cc2c1OCC1c3cc4c(cc3OC21)OC(CO)O4

Aglycone:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OC(CO)O4.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.55
AlogP: 1.25 Num_rotatable_bonds: 12
MolWt: 648.61 Num_heavy_atoms: 46
TPSA: 209.13 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
AD56755
Formula: C22H24O7

Smiles:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OC(CO)O4
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.45
AlogP: 3.97 Num_rotatable_bonds: 6
MolWt: 400.43 Num_heavy_atoms: 29
TPSA: 86.61 NumAromaticRings: 2

Sugarmoiety
SD00017

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