Glycoside
...
GD152031

Name:
2-(hydroxymethyl)-1-[38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptaconta-6,34,42,70-tetraen-2-yl]hexane-1,2,3,4,5,6-hexol

Formula:
C92H176O12

Smiles:
CC1=CCOCC(CO)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)=CCOCC(C(O)C(O)(CO)C(O)C(O)C(O)CO)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCC1

Aglycone:
CC1=CCOCCOCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)=CCOC(CO)COCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCC1

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)CO.OCO

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 8 FractionCSP3: 0.91
AlogP: 21.98 Num_rotatable_bonds: 8
MolWt: 1474.41 Num_heavy_atoms: 104
TPSA: 198.76 NumAromaticRings: 0

Unique Aglycone
AD60569
Formula: C85H162O5

Smiles:
CC1=CCOCCOCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)=CCOC(CO)COCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCC1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.91
AlogP: 26.45 Num_rotatable_bonds: 1
MolWt: 1264.23 Num_heavy_atoms: 90
TPSA: 57.15 NumAromaticRings: 0

Sugarmoiety
SD09973

OCC(O)C(O)C(O)C(O)(O)CO.OCO