Glycoside
...
GD140897

Name:
[3,4,5-tris(acetyloxy)-6-{[19-(acetyloxy)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-8-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C36H36O15N2

Smiles:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cccc3nc2-1

Aglycone:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 0 FractionCSP3: 0.44
AlogP: 2.11 Num_rotatable_bonds: 9
MolWt: 736.68 Num_heavy_atoms: 53
TPSA: 211.15 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD56800
Formula: C22H18O6N2

Smiles:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1
HBA: 8 RingCount: 5
HBD: 1 FractionCSP3: 0.27
AlogP: 2.36 Num_rotatable_bonds: 2
MolWt: 406.39 Num_heavy_atoms: 30
TPSA: 107.72 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O