Glycoside
...
GD004143

Name:
None

Formula:
C54H92O18

Smiles:
CCC(C(=O)O)[C@]1(O)O[C@H]([C@H](C)[C@@H]2O[C@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@@](C)(O)[C@H](C)C[C@H]6C)C[C@H]5O[C@@H]5CC[C@H](OC)[C@H](C)O5)O4)O3)C[C@H](O)[C@H]2C)[C@H](OC)[C@H](O[C@@H]2CC[C@H](OC)[C@H](C)O2)[C@H]1C

Aglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C.CCCC(=O)O.COC1CCC(O)OC1C

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 4 FractionCSP3: 0.98
AlogP: 6.24 Num_rotatable_bonds: 15
MolWt: 1029.31 Num_heavy_atoms: 72
TPSA: 217.98 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
AD02920
Formula: C36H62O10

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C
HBA: 10 RingCount: 6
HBD: 2 FractionCSP3: 1.0
AlogP: 5.24 Num_rotatable_bonds: 7
MolWt: 654.88 Num_heavy_atoms: 46
TPSA: 114.3 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

Sugarmoiety
SD00694

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