Glycoside
...
GD143349

Name:
17-butyl-31-({3,4-dihydroxy-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl}oxy)-4,5,11,12-tetrahydroxy-6-{[(3-hydroxy-2-methylbutanoyl)oxy]methyl}-13,32-dimethyl-28-oxo-2,7,9,14,16,29,33-heptaoxatetracyclo[28.3.1.0³,⁸.0¹⁰,¹⁵]tetratriacontan-34-yl 2-methylbut-2-enoate

Formula:
C54H90O23

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)C)C(O)C3O)C1OC(=O)CCCCCCCCCCC(CCCC)OC1OC(C)C(O)C(O)C1OC1OC(COC(=O)C(C)C(C)O)C(O)C(O)C1O2

Aglycone:
CC(C)C(=O)O.CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCCC(CCCC)OC1OC(C)C(O)C(O)C1OC1OC(COC(=O)C(C)C(C)O)C(O)C(O)C1O2

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 7 FractionCSP3: 0.89
AlogP: 2.67 Num_rotatable_bonds: 13
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 320.65 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD53856
Formula: C44H74O18

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCCC(CCCC)OC1OC(C)C(O)C(O)C1OC1OC(COC(=O)C(C)C(C)O)C(O)C(O)C1O2
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.89
AlogP: 2.62 Num_rotatable_bonds: 9
MolWt: 891.06 Num_heavy_atoms: 62
TPSA: 255.66 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O