Glycoside
...
GD118418

Name:
3-{[6-(2-azaniumylethoxy)-3,4-dihydroxy-5-({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}-3-oxopropanoate

Formula:
C32H39O14N

Smiles:
CCCCCc1cc(OOC2C(OCCN)OC(COC(=O)CC(=O)O)C(O)C2O)cc2c1OCC1c3cc4c(cc3OC21)OCO4

Aglycone:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OCO4.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.56
AlogP: 1.88 Num_rotatable_bonds: 14
MolWt: 661.66 Num_heavy_atoms: 47
TPSA: 203.92 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
AD47344
Formula: C21H22O6

Smiles:
CCCCCc1cc(OO)cc2c1OCC1c3cc4c(cc3OC21)OCO4
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.43
AlogP: 4.61 Num_rotatable_bonds: 5
MolWt: 370.4 Num_heavy_atoms: 27
TPSA: 66.38 NumAromaticRings: 2

Sugarmoiety
SD04773

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