Glycoside
...
GD153027

Name:
4-(2-{4-[2-({8-[2-(5-{[2-(5-carboxy-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)ethoxy]carbonyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl)ethoxy]-2,6-dimethyl-8-oxoocta-2,6-dienoyl}oxy)ethyl]-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carbonyloxy}ethyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:
C74H102O40

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)O)=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)O)C1CCOC(=O)C1=COC(O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)O)=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: 40 RingCount: 8
HBD: 18 FractionCSP3: 0.65
AlogP: -4.54 Num_rotatable_bonds: 37
MolWt: 1631.59 Num_heavy_atoms: 114
TPSA: 614.24 NumAromaticRings: 0

Unique Aglycone
AD60889
Formula: C50H62O20

Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)C1=COC(O)C(C=C)C1CCOC(=O)C=C(C)CCC=C(C)C(=O)OCCC1C(C(=O)OCCC2C(C(=O)O)=COC(O)C2C=C)=COC(O)C1C=C
HBA: 20 RingCount: 4
HBD: 6 FractionCSP3: 0.48
AlogP: 4.17 Num_rotatable_bonds: 25
MolWt: 983.03 Num_heavy_atoms: 70
TPSA: 297.64 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