Glycoside
...
GD148686

Name:
3-{[6-(2-azaniumylethoxy)-5-[(16-{[3-(cyclopentylmethyl)-5-hydroxyphenyl]methyl}-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]-3,4-dihydroxyoxan-2-yl]methoxy}-3-oxopropanoate

Formula:
C44H53O15N

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OOC5C(OCCN)OC(COC(=O)CC(=O)O)C(O)C5O)c(Cc5cc(O)cc(CC6CCCC6)c5)cc4OCC31)OCO2

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cc(O)cc(CC6CCCC6)c5)cc4OCC31)OCO2.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 6 FractionCSP3: 0.55
AlogP: 4.37 Num_rotatable_bonds: 16
MolWt: 835.9 Num_heavy_atoms: 60
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
AD52533
Formula: C33H36O7

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cc(O)cc(CC6CCCC6)c5)cc4OCC31)OCO2
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.45
AlogP: 7.1 Num_rotatable_bonds: 7
MolWt: 544.64 Num_heavy_atoms: 40
TPSA: 86.61 NumAromaticRings: 3

Sugarmoiety
SD04773

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