Glycoside
...
GD154265

Name:
5-({3,4-dihydroxy-6-methyl-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-6-methyl-2-({4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-23-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl dodecanoate

Formula:
C61H106O25

Smiles:
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(OC(CCC)CCCCCCCCCC(=O)OC2C3O)OC(C)C(O)C4O)OC(C)C(OC2OC(C)C(OC(=O)C(C)CC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CCC(C)C(=O)O.CCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O.CCCCCCCCCCCC(=O)O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 3.52 Num_rotatable_bonds: 23
MolWt: 1239.49 Num_heavy_atoms: 86
TPSA: 353.27 NumAromaticRings: 0

Unique Aglycone
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD60652
Formula: C26H46O10

Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.96
AlogP: 1.93 Num_rotatable_bonds: 2
MolWt: 518.64 Num_heavy_atoms: 36
TPSA: 144.14 NumAromaticRings: 0

Sugarmoiety
SD00747

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O