Glycoside
...
GD145963

Name:
(6-{[5-({[3-(2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoyl]oxy}methyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoate

Formula:
C60H78O19

Smiles:
CC(C)=C1CCC(C)C(C)(COc2ccc3ccc(=O)oc3c2)C1CCC(=O)OCC1OC(OC2(CO)OC(COC(=O)CCC3C(=C(C)C)CCC(C)C3(C)COc3ccc4ccc(=O)oc4c3)C(O)C2O)C(O)C(O)C1O

Aglycone:
COC(=O)CCC1C(=C(C)C)CCC(C)C1(C)COc1ccc2ccc(=O)oc2c1.COC(=O)CCC1C(=C(C)C)CCC(C)C1(C)COc1ccc2ccc(=O)oc2c1

Sugarmoiety:
OCC1(OC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 6 FractionCSP3: 0.6
AlogP: 6.42 Num_rotatable_bonds: 19
MolWt: 1103.27 Num_heavy_atoms: 79
TPSA: 280.55 NumAromaticRings: 4

Unique Aglycone
AD58562
Formula: C25H32O5

Smiles:
COC(=O)CCC1C(=C(C)C)CCC(C)C1(C)COc1ccc2ccc(=O)oc2c1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.52
AlogP: 5.51 Num_rotatable_bonds: 6
MolWt: 412.53 Num_heavy_atoms: 30
TPSA: 65.74 NumAromaticRings: 2

Sugarmoiety
SD00055

OCC1(OC2OC(O)C(O)C(O)C2O)OC(O)C(O)C1O