Glycoside
...
GD115136

Name:
C1-11 Thermocryptoxanthin-11

Formula:
C57H86O7

Smiles:
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2OC(COC(=O)CCCCCCCC(C)C)C(O)C(O)C2O)CC1(C)C

Aglycone:
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C.COC(=O)CCCCCCCC(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.6
AlogP: 13.34 Num_rotatable_bonds: 22
MolWt: 883.31 Num_heavy_atoms: 64
TPSA: 105.45 NumAromaticRings: 0

Unique Aglycone
AD45488
Formula: C40H56O

Smiles:
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 11.58 Num_rotatable_bonds: 10
MolWt: 552.89 Num_heavy_atoms: 41
TPSA: 20.23 NumAromaticRings: 0
AD45489
Formula: C12H24O2

Smiles:
COC(=O)CCCCCCCC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.92
AlogP: 3.55 Num_rotatable_bonds: 8
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O