Glycoside
...
GD123836

Name:
None

Formula:
C42H61O11Cl

Smiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1OC1CC(O)C(OC2CC(C)C(OC3CCC(C)C(O)O3)C(C)O2)C(C)O1

Aglycone:
CC1CCC(OC2C(C)CC(O)OC2C)OC1O.CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1O

Sugarmoiety:
CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 3 FractionCSP3: 0.68
AlogP: 6.31 Num_rotatable_bonds: 13
MolWt: 765.38 Num_heavy_atoms: 53
TPSA: 142.37 NumAromaticRings: 0

Unique Aglycone
AD49806
Formula: C23H29O4Cl

Smiles:
CCC=CCC=CC=CC=CC=CC1OC(=O)CCC(Cl)C=CC(O)C1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.41
AlogP: 4.16 Num_rotatable_bonds: 7
MolWt: 392.92 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0
AD49997
Formula: C13H24O5

Smiles:
CC1CCC(OC2C(C)CC(O)OC2C)OC1O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: 1.23 Num_rotatable_bonds: 2
MolWt: 260.33 Num_heavy_atoms: 18
TPSA: 68.15 NumAromaticRings: 0

Sugarmoiety
SD00010

CC1OC(O)CC(O)C1O