Glycoside
...
GD137769

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

Formula:
C44H64O23

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

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(C)C1CC(O)C(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: 9 FractionCSP3: 0.73
AlogP: -2.44 Num_rotatable_bonds: 18
MolWt: 960.97 Num_heavy_atoms: 67
TPSA: 342.65 NumAromaticRings: 0

Unique Aglycone
AD55642
Formula: C32H44O13

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(C)C1CC(O)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.62
AlogP: 1.91 Num_rotatable_bonds: 12
MolWt: 636.69 Num_heavy_atoms: 45
TPSA: 184.35 NumAromaticRings: 0

Sugarmoiety
SD00019

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