Glycoside
...
GD139823

Name:
{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl 1-methoxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate

Formula:
C36H48O12N2

Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2C(=O)OCOC1OCC(O)C(O)C1OC(C)=O

Aglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2C(=O)OCO

Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.61
AlogP: 2.74 Num_rotatable_bonds: 10
MolWt: 700.78 Num_heavy_atoms: 50
TPSA: 174.1 NumAromaticRings: 1

Unique Aglycone
AD56390
Formula: C29H38O7N2

Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2C(=O)OCO
HBA: 9 RingCount: 4
HBD: 1 FractionCSP3: 0.55
AlogP: 3.71 Num_rotatable_bonds: 7
MolWt: 526.63 Num_heavy_atoms: 38
TPSA: 109.11 NumAromaticRings: 1

Sugarmoiety
SD00514

CC(=O)OC1C(O)OCC(O)C1O