Glycoside
...
GD124178

Name:
3-{[6-(2-azaniumylethoxy)-5-({16-[(3-ethyl-5-hydroxyphenyl)methyl]-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaen-15-yl}peroxy)-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoate

Formula:
C36H39O15N

Smiles:
CCc1cc(O)cc(Cc2cc3c(cc2OOC2C(OCCN)OC(COC(=O)CC(=O)O)C(O)C2O)C2Oc4cc5c(cc4C2CO3)OCO5)c1

Aglycone:
CCc1cc(O)cc(Cc2cc3c(cc2OO)C2Oc4cc5c(cc4C2CO3)OCO5)c1.COC(=O)CC(=O)O

Sugarmoiety:
NCCOC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: 2.0 Num_rotatable_bonds: 13
MolWt: 725.7 Num_heavy_atoms: 52
TPSA: 224.15 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
AD50145
Formula: C25H22O7

Smiles:
CCc1cc(O)cc(Cc2cc3c(cc2OO)C2Oc4cc5c(cc4C2CO3)OCO5)c1
HBA: 7 RingCount: 6
HBD: 2 FractionCSP3: 0.28
AlogP: 4.74 Num_rotatable_bonds: 4
MolWt: 434.44 Num_heavy_atoms: 32
TPSA: 86.61 NumAromaticRings: 3

Sugarmoiety
SD04773

NCCOC1OC(O)C(O)C(O)C1O