Glycoside
...
GD140476

Name:
2-{4-[11,15-dichloro-15-(3-chloro-5-methyloxolan-2-yl)-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]-1-[3-({3,4-dihydroxy-5-[(4-hydroxy-3-methoxy-5-methyloxolan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl}acetamide

Formula:
C45H53O16N2Cl3

Smiles:
COC1C(OC2COC(OC3C(O)C(O)COC3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(Cl)C=CC=C(Cl)C4OC(C)CC4Cl)C(=O)C3CC(=N)O)C(O)C2O)OC(C)C1O

Aglycone:
CC1CC(Cl)C(C(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1

Sugarmoiety:
COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 8 FractionCSP3: 0.55
AlogP: 2.36 Num_rotatable_bonds: 16
MolWt: 948.24 Num_heavy_atoms: 63
TPSA: 267.45 NumAromaticRings: 0

Unique Aglycone
AD46303
Formula: C29H27O5N2Cl3

Smiles:
CC1CC(Cl)C(C(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C2C(=O)NC(CC(=N)O)C2=O)O1
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.27
AlogP: 5.6 Num_rotatable_bonds: 10
MolWt: 553.87 Num_heavy_atoms: 36
TPSA: 119.71 NumAromaticRings: 0

Sugarmoiety
SD01097

COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1O