Glycoside
...
GD149344

Name:
30-({3,4-dihydroxy-5-[(3-hydroxy-2-methylbutanoyl)oxy]-6-methyloxan-2-yl}oxy)-4,5,11,12-tetrahydroxy-6-{[(3-hydroxy-2-methylbutanoyl)oxy]methyl}-13,31-dimethyl-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.0³,⁸.0¹⁰,¹⁵]tritriacontan-33-yl 2-methylbut-2-enoate

Formula:
C55H92O24

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

Aglycone:
CC(O)C(C)C(=O)O.CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)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: 24 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 2.04 Num_rotatable_bonds: 15
MolWt: 1137.32 Num_heavy_atoms: 79
TPSA: 340.88 NumAromaticRings: 0

Unique Aglycone
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0
AD52769
Formula: C44H74O18

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)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: 10
MolWt: 891.06 Num_heavy_atoms: 62
TPSA: 255.66 NumAromaticRings: 0

Sugarmoiety
SD00076

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