Glycoside
...
GD115427

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

Formula:
C50H84O22

Smiles:
CC=C(C)C(=O)OC1C(CO)OC(OC2C(C)OC3OC4C(OC(CO)C(O)C4O)OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)CC)OC(C)C(O)C4O)C(O)C1O

Aglycone:
CC=C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 8 FractionCSP3: 0.9
AlogP: 1.47 Num_rotatable_bonds: 13
MolWt: 1037.2 Num_heavy_atoms: 72
TPSA: 314.58 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
AD01426
Formula: C39H68O16

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.95
AlogP: 2.13 Num_rotatable_bonds: 8
MolWt: 792.96 Num_heavy_atoms: 55
TPSA: 229.36 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O