Glycoside
...
GD121210

Name:
Pgl Ki

Formula:
C63H106O22

Smiles:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(OC2OC(C)C(OC)C(OC3OC(C)C(O)C(OC4OC(C)C(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C4OC)C3OC)C2OC)cc1)OC(=O)C(C)CCC

Aglycone:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O)cc1)OC(=O)C(C)CCC

Sugarmoiety:
COC1C(O)CC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(C)OC(OC4C(OC)C(C)OC(O)C4OC)C3OC)C2OC)OC1C

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 7.57 Num_rotatable_bonds: 34
MolWt: 1215.52 Num_heavy_atoms: 85
TPSA: 248.58 NumAromaticRings: 1

Unique Aglycone
AD45971
Formula: C32H54O6

Smiles:
CCCC(C)C(=O)OC(CCCCC(C)C(CC)OC)CC(Cc1ccc(O)cc1)OC(=O)C(C)CCC
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.75
AlogP: 7.64 Num_rotatable_bonds: 20
MolWt: 534.78 Num_heavy_atoms: 38
TPSA: 82.06 NumAromaticRings: 1

Sugarmoiety
SD05779

COC1C(O)CC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(C)OC(OC4C(OC)C(C)OC(O)C4OC)C3OC)C2OC)OC1C