Glycoside
...
GD148637

Name:
methyl 3-ethylidene-4-[2-({2-[1-({2-[6-ethylidene-2-(methoxycarbonyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]acetyl}oxy)-3-hydroxypropan-2-yl]-3-hydroxy-5-methylcyclopentyl}methoxy)-2-oxoethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C45H66O23

Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(O)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC

Aglycone:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(O)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 10 FractionCSP3: 0.73
AlogP: -2.86 Num_rotatable_bonds: 18
MolWt: 975.0 Num_heavy_atoms: 68
TPSA: 353.65 NumAromaticRings: 0

Unique Aglycone
AD59465
Formula: C33H46O13

Smiles:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)OCC(CO)C1C(O)CC(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.64
AlogP: 1.49 Num_rotatable_bonds: 12
MolWt: 650.72 Num_heavy_atoms: 46
TPSA: 195.35 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O