Glycoside
...
GD144873

Name:
3-[(5-{[17-(3-ethyl-5-phenylpentyl)-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}-3,4,6-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

Formula:
C38H42O14

Smiles:
CCC(CCc1ccccc1)CCc1cc(OOC2C(O)OC(COC(=O)CC(=O)O)C(O)C2O)cc2c1OCC1c3cc4c(cc3OC21)OCO4

Aglycone:
CCC(CCc1ccccc1)CCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OCO4.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 4 FractionCSP3: 0.47
AlogP: 3.75 Num_rotatable_bonds: 14
MolWt: 722.74 Num_heavy_atoms: 52
TPSA: 188.9 NumAromaticRings: 3

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
AD58185
Formula: C29H30O6

Smiles:
CCC(CCc1ccccc1)CCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OCO4
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.38
AlogP: 6.47 Num_rotatable_bonds: 8
MolWt: 474.55 Num_heavy_atoms: 35
TPSA: 66.38 NumAromaticRings: 3

Sugarmoiety
SD00017

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