Glycoside
...
GD126874

Name:
Cp-82009

Formula:
C49H84O17

Smiles:
COC1CCC(OC2(C)C(CC3CC(OC)C(C)C4(O3)OC(C)(C3CCC(C5CCC(C6OC(C)(O)C(C)C(OC)C6C)O5)O3)C(OC)C4C)OC(O)(C(C)C(=O)O)C(C)C2OC)OC1C

Aglycone:
CCC(=O)O.COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)C(OC)C2C)C1C.COC1CCC(O)OC1C

Sugarmoiety:
COC1CC(O)(O)OC(O)C1(C)O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 3 FractionCSP3: 0.98
AlogP: 5.22 Num_rotatable_bonds: 14
MolWt: 945.19 Num_heavy_atoms: 66
TPSA: 197.75 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD02921
Formula: C7H14O3

Smiles:
COC1CCC(O)OC1C
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.52 Num_rotatable_bonds: 1
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 38.69 NumAromaticRings: 0
AD07939
Formula: C31H54O9

Smiles:
COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)C(OC)C2C)C1C
HBA: 9 RingCount: 5
HBD: 1 FractionCSP3: 1.0
AlogP: 4.07 Num_rotatable_bonds: 6
MolWt: 570.76 Num_heavy_atoms: 40
TPSA: 94.07 NumAromaticRings: 0

Sugarmoiety
SD06696

COC1CC(O)(O)OC(O)C1(C)O