Glycoside
...
GD031427

Name:
None

Formula:
C45H68O16

Smiles:
CCCC(=O)O[C@H]1[C@H](OC(=O)CCC)[C@H](C)O[C@H](O[C@@H]2C[C@@H]3C[C@H](OC(C)=O)[C@]4(O)C[C@H](C[C@H](OC(C)=O)[C@@H]5C[C@H](C)[C@H](CC=CC=C[C@H](C)C[C@H](C2)O3)O5)OC4=O)[C@@H]1OC

Aglycone:
CC(=O)OC1CC2CC(O)(C(=O)O2)C(OC(C)=O)CC2CC(O)CC(CC(C)C=CC=CCC3OC1CC3C)O2.CCCC(=O)O.CCCC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.8
AlogP: 5.13 Num_rotatable_bonds: 11
MolWt: 865.02 Num_heavy_atoms: 61
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
AD20247
Formula: C30H44O10

Smiles:
CC(=O)OC1CC2CC(O)(C(=O)O2)C(OC(C)=O)CC2CC(O)CC(CC(C)C=CC=CCC3OC1CC3C)O2
HBA: 10 RingCount: 4
HBD: 2 FractionCSP3: 0.77
AlogP: 2.92 Num_rotatable_bonds: 2
MolWt: 564.67 Num_heavy_atoms: 40
TPSA: 137.82 NumAromaticRings: 0

Sugarmoiety
SD00297

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