Glycoside
...
GD133929

Name:
None

Formula:
C33H56O15

Smiles:
CCC(C)CCCC(=O)OC1C(OC(=O)CCC(C)CC)C(CO)OC(OC2(COC(C)=O)OC(CO)C(O)C2O)C1OC(=O)C(C)C

Aglycone:
CC(C)C(=O)O.CCC(C)CCC(=O)O.CCC(C)CCCC(=O)O.COC(C)=O

Sugarmoiety:
OCC1OC(OC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.88
AlogP: 1.53 Num_rotatable_bonds: 19
MolWt: 692.8 Num_heavy_atoms: 48
TPSA: 213.81 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD51031
Formula: C7H14O2

Smiles:
CCC(C)CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 1.9 Num_rotatable_bonds: 4
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 0
AD52478
Formula: C8H16O2

Smiles:
CCC(C)CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.29 Num_rotatable_bonds: 5
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD01299

OCC1OC(OC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O