Glycoside
...
GD030471

Name:
None

Formula:
C61H82O25

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2c3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H]3C(=O)OC[C@H]23)OCO4)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@H](COC(=O)CCC)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.CCCC(=O)OC.COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:
OCC1OOC(O)C(OC2C(CO)OC(O)C(O)C2O)O1

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 1 FractionCSP3: 0.67
AlogP: 7.21 Num_rotatable_bonds: 30
MolWt: 1215.3 Num_heavy_atoms: 86
TPSA: 304.47 NumAromaticRings: 2

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
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD04665
Formula: C21H20O8

Smiles:
COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.38
AlogP: 2.11 Num_rotatable_bonds: 3
MolWt: 400.38 Num_heavy_atoms: 29
TPSA: 103.68 NumAromaticRings: 2

Sugarmoiety
SD01457

OCC1OOC(O)C(OC2C(CO)OC(O)C(O)C2O)O1