Glycoside
...
GD005303

Name:
None

Formula:
C44H68O16

Smiles:
CC(C)(C)C(=O)OCC1=C[C@H](OC(=O)C(C)(C)C)[C@@H]2CC(=O)O[C@H](O[C@@H]3O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12

Aglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)OCC1=CC(OC(=O)C(C)(C)C)C2CC(=O)OC(O)C12

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 0 FractionCSP3: 0.8
AlogP: 6.14 Num_rotatable_bonds: 9
MolWt: 853.01 Num_heavy_atoms: 60
TPSA: 202.56 NumAromaticRings: 0

Unique Aglycone
AD03091
Formula: C5H10O2

Smiles:
CC(C)(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 0
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD04527
Formula: C19H28O7

Smiles:
CC(C)(C)C(=O)OCC1=CC(OC(=O)C(C)(C)C)C2CC(=O)OC(O)C12
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.74
AlogP: 1.97 Num_rotatable_bonds: 3
MolWt: 368.43 Num_heavy_atoms: 26
TPSA: 99.13 NumAromaticRings: 0

Sugarmoiety
SD00017

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