Glycoside
...
GD143515

Name:
2-(4a-hydroxy-6-{[4-hydroxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-1-{2-[1-(benzoyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}ethyl benzoate

Formula:
C61H84O23

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(CC(OC(=O)c5ccccc5)C5(C)C(=O)CCC5(O)C(C)OC(=O)c5ccccc5)C(=O)C=CC4(O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(OC(=O)c1ccccc1)C1(O)CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)c1ccccc1

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 7 FractionCSP3: 0.7
AlogP: 2.76 Num_rotatable_bonds: 19
MolWt: 1185.32 Num_heavy_atoms: 84
TPSA: 320.65 NumAromaticRings: 2

Unique Aglycone
AD57718
Formula: C35H40O9

Smiles:
CC(OC(=O)c1ccccc1)C1(O)CCC(=O)C1(C)C(CC1C(=O)C=CC2(O)CC(O)CCC12C)OC(=O)c1ccccc1
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.49
AlogP: 3.99 Num_rotatable_bonds: 8
MolWt: 604.7 Num_heavy_atoms: 44
TPSA: 147.43 NumAromaticRings: 2

Sugarmoiety
SD02836

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1