Glycoside
...
GD157874

Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-({2-methyl-3-[(2-methylbut-2-enoyl)oxy]-5-[(2-methylbutanoyl)oxy]-6-{[6,7,25,26,32-pentahydroxy-5,31-bis(hydroxymethyl)-24-methyl-10-oxo-20-pentyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.0³,⁸.0²²,²⁷]tritriacontan-33-yl]oxy}oxan-4-yl}oxy)oxan-4-yl 2-methylbut-2-enoate

Formula:
C61H100O28

Smiles:
CC=C(C)C(=O)OC1C(O)C(CO)OC(OC2C(OC(=O)C(C)=CC)C(C)OC(OC3C4OC(CO)C(O)C3OC3OC(CO)C(O)C(O)C3OC(=O)CCCCCCCCCC(CCCCC)OC3OC(C)C(O)C(O)C3O4)C2OC(=O)C(C)CC)C1O

Aglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)O.CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 6
HBD: 10 FractionCSP3: 0.87
AlogP: 0.81 Num_rotatable_bonds: 18
MolWt: 1281.44 Num_heavy_atoms: 89
TPSA: 399.8 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
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
AD55335
Formula: C34H60O16

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(CO)C(O)C2O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 16 RingCount: 4
HBD: 8 FractionCSP3: 0.97
AlogP: -0.5 Num_rotatable_bonds: 6
MolWt: 724.84 Num_heavy_atoms: 50
TPSA: 243.52 NumAromaticRings: 0

Sugarmoiety
SD00046

CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O