Glycoside
...
GD140368

Name:
2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethyl 3-ethenyl-4-{4-[3-ethenyl-5-({2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethoxy}carbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]-1-oxobut-2-en-2-yl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C66H90O37

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=C(C=O)C1C(C(=O)OCCC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C)=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C

Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CC=C(C=O)C1C(C(=O)OCCC2C(C(=O)OC)=COC(O)C2C=C)=COC(O)C1C=C

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

Other Identifiers

Properties
HBA: 37 RingCount: 8
HBD: 16 FractionCSP3: 0.65
AlogP: -6.39 Num_rotatable_bonds: 30
MolWt: 1475.41 Num_heavy_atoms: 103
TPSA: 556.71 NumAromaticRings: 0

Unique Aglycone
AD56599
Formula: C42H50O17

Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C(C=C)C1CC=C(C=O)C1C(C(=O)OCCC2C(C(=O)OC)=COC(O)C2C=C)=COC(O)C1C=C
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.45
AlogP: 2.32 Num_rotatable_bonds: 18
MolWt: 826.85 Num_heavy_atoms: 59
TPSA: 240.11 NumAromaticRings: 0

Sugarmoiety
SD00109

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