Glycoside
...
GD130990

Name:
3-{[6-(2-azaniumylethoxy)-3,4-dihydroxy-5-{[6-(hydroxymethyl)-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:
C32H39O15N

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OOC5C(OCCN)OC(COC(=O)CC(=O)O)C(O)C5O)ccc4OCC31)OC(CO)O2

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)ccc4OCC31)OC(CO)O2.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 6 FractionCSP3: 0.56
AlogP: 0.7 Num_rotatable_bonds: 13
MolWt: 677.66 Num_heavy_atoms: 48
TPSA: 224.15 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
AD53083
Formula: C21H22O7

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)ccc4OCC31)OC(CO)O2
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.43
AlogP: 3.44 Num_rotatable_bonds: 4
MolWt: 386.4 Num_heavy_atoms: 28
TPSA: 86.61 NumAromaticRings: 2

Sugarmoiety
SD04773

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