Glycoside
...
GD127074

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

Formula:
C39H45O16N

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OOC5C(OCCN)OC(COC(=O)CC(=O)O)C(O)C5O)c(Cc5cccc(O)c5)cc4OCC31)OC(CO)O2

Aglycone:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cccc(O)c5)cc4OCC31)OC(CO)O2.COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 7 FractionCSP3: 0.49
AlogP: 2.0 Num_rotatable_bonds: 15
MolWt: 783.78 Num_heavy_atoms: 56
TPSA: 244.38 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
AD47843
Formula: C28H28O8

Smiles:
CC(C)Cc1c2c(cc3c1OC1c4cc(OO)c(Cc5cccc(O)c5)cc4OCC31)OC(CO)O2
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.36
AlogP: 4.73 Num_rotatable_bonds: 6
MolWt: 492.52 Num_heavy_atoms: 36
TPSA: 106.84 NumAromaticRings: 3

Sugarmoiety
SD04773

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