Glycoside
...
GD145799

Name:
3-{[6-(2-azaniumylethoxy)-3,4-dihydroxy-5-{[9-(2-methylpropyl)-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:
C31H37O14N

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OOC5C(OCCN)OC(COC(=O)CC(=O)O)C(O)C5O)ccc4OCC31)OCO2

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)ccc4OCC31)OCO2.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.55
AlogP: 1.34 Num_rotatable_bonds: 12
MolWt: 647.63 Num_heavy_atoms: 46
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
AD46144
Formula: C20H20O6

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)ccc4OCC31)OCO2
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.4
AlogP: 4.08 Num_rotatable_bonds: 3
MolWt: 356.37 Num_heavy_atoms: 26
TPSA: 66.38 NumAromaticRings: 2

Sugarmoiety
SD04773

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