Glycoside
...
GD121080

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

Formula:
C43H62O23

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C(CC)C3CC=O)CC2C(CO)C(=O)OC)C1CC=O

Aglycone:
C=CC1C(O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C(CC)C3CC=O)CC2C(CO)C(=O)OC)C1CC=O

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: 0.74
AlogP: -3.15 Num_rotatable_bonds: 20
MolWt: 946.95 Num_heavy_atoms: 66
TPSA: 350.49 NumAromaticRings: 0

Unique Aglycone
AD48704
Formula: C31H42O13

Smiles:
C=CC1C(O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C(CC)C3CC=O)CC2C(CO)C(=O)OC)C1CC=O
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.65
AlogP: 1.2 Num_rotatable_bonds: 14
MolWt: 622.66 Num_heavy_atoms: 44
TPSA: 192.19 NumAromaticRings: 0

Sugarmoiety
SD00019

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