Glycoside
...
GD126503

Name:
1-{2-[1-(acetyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-(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-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl 3-phenylprop-2-enoate

Formula:
C58H84O22

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC(=O)C4CC(OC(=O)C=Cc4ccccc4)C4(C)C(=O)CCC4(O)C(C)OC(C)=O)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(=O)OC(C)C1(O)CCC(=O)C1(C)C(CC1C(=O)CC=C2CC(O)CCC21C)OC(=O)C=Cc1ccccc1

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: 22 RingCount: 8
HBD: 6 FractionCSP3: 0.76
AlogP: 2.9 Num_rotatable_bonds: 19
MolWt: 1133.29 Num_heavy_atoms: 80
TPSA: 300.42 NumAromaticRings: 1

Unique Aglycone
AD07912
Formula: C32H40O8

Smiles:
CC(=O)OC(C)C1(O)CCC(=O)C1(C)C(CC1C(=O)CC=C2CC(O)CCC21C)OC(=O)C=Cc1ccccc1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.56
AlogP: 4.12 Num_rotatable_bonds: 8
MolWt: 552.66 Num_heavy_atoms: 40
TPSA: 127.2 NumAromaticRings: 1

Sugarmoiety
SD02836

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