Glycoside
...
GD156028

Name:
3-{[6-(2-azaniumylethoxy)-3,4-dihydroxy-5-[(16-{[3-hydroxy-2-(hydroxymethyl)phenyl]methyl}-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(18),14,16-hexaen-15-yl)peroxy]oxan-2-yl]methoxy}-3-oxopropanoate

Formula:
C40H47O17N

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OOC5C(OCCN)OC(COC(=O)CC(=O)O)C(O)C5O)c(Cc5cccc(O)c5CO)cc4OCC31)OC(CO)O2

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cccc(O)c5CO)cc4OCC31)OC(CO)O2.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.5
AlogP: 1.49 Num_rotatable_bonds: 16
MolWt: 813.81 Num_heavy_atoms: 58
TPSA: 264.61 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
AD55691
Formula: C29H30O9

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cccc(O)c5CO)cc4OCC31)OC(CO)O2
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.38
AlogP: 4.22 Num_rotatable_bonds: 7
MolWt: 522.55 Num_heavy_atoms: 38
TPSA: 127.07 NumAromaticRings: 3

Sugarmoiety
SD04773

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