Glycoside
...
GD005085

Name:
None

Formula:
C50H75O22P

Smiles:
CC(C)C(=O)OC[C@@H]1O[C@H](OP(=O)(Oc2ccccc2)O[C@@H]2O[C@H](COC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C

Aglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.COC(=O)C(C)C.COC(=O)C(C)C.O=P(O)(O)Oc1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OOC(O)C(O)O1

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 0 FractionCSP3: 0.72
AlogP: 6.46 Num_rotatable_bonds: 24
MolWt: 1059.1 Num_heavy_atoms: 73
TPSA: 273.62 NumAromaticRings: 1

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01210
Formula: C5H10O2

Smiles:
COC(=O)C(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.82 Num_rotatable_bonds: 1
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD04352
Formula: C6H7O4P

Smiles:
O=P(O)(O)Oc1ccccc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.16 Num_rotatable_bonds: 2
MolWt: 174.09 Num_heavy_atoms: 11
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00954

OCC1OC(O)C(O)C(O)C1O.OCC1OOC(O)C(O)O1