Glycoside
...
GD149858

Name:
2-(4a-hydroxy-6-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-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:
C55H74O18

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4CCC5(C)C(CC(OC(=O)c6ccccc6)C6(C)C(=O)CCC6(O)C(C)OC(=O)c6ccccc6)C(=O)C=CC5(O)C4)OC3C)CC2OC)OC(C)C1O

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(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 4 FractionCSP3: 0.67
AlogP: 4.94 Num_rotatable_bonds: 16
MolWt: 1023.18 Num_heavy_atoms: 73
TPSA: 241.5 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
SD01400

COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1O