Glycoside
...
GD036284

Name:
None

Formula:
C47H72O16

Smiles:
CCCC(=O)O[C@@H]1[C@H](OC(=O)CCC)[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3C[C@H](C)C=CC=CC[C@@H]4O[C@H](C[C@H]4C)[C@H](OC(C)=O)C[C@@H]4C[C@@](O)(C(=O)O4)[C@H](OC(=O)CCC)C[C@H](C2)O3)O[C@@H]1C

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(OC(C)=O)CC3CC1(O)C(=O)O3)O2

Sugarmoiety:
COC1C(O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.81
AlogP: 5.91 Num_rotatable_bonds: 13
MolWt: 893.08 Num_heavy_atoms: 63
TPSA: 197.88 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD22900
Formula: C32H48O10

Smiles:
CCCC(=O)OC1CC2CC(O)CC(CC(C)C=CC=CCC3OC(CC3C)C(OC(C)=O)CC3CC1(O)C(=O)O3)O2
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.78
AlogP: 3.7 Num_rotatable_bonds: 4
MolWt: 592.73 Num_heavy_atoms: 42
TPSA: 137.82 NumAromaticRings: 0

Sugarmoiety
SD00297

COC1C(O)OC(C)C(O)C1O