Glycoside
...
GD013339

Name:
PHYLLAEMBLICIN F

Formula:
C54H66O27

Smiles:
C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@H]1C[C@H](C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3O[C@@H](COC(=O)[C@@H]4C[C@H](O)[C@@]5(O)C(=O)[C@]6(C[C@@H](OC(=O)c7ccccc7)[C@H](C)CO6)O[C@@H]5C4)[C@H](O)[C@@H](O)[C@H]3O)C[C@H](O)[C@]1(O)C2=O

Aglycone:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O.COC(=O)C1CC(O)C2(O)C(=O)C3(CC(OC(=O)c4ccccc4)C(C)CO3)OC2C1

Sugarmoiety:
OCC1OOC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 10 FractionCSP3: 0.67
AlogP: -3.4 Num_rotatable_bonds: 12
MolWt: 1147.1 Num_heavy_atoms: 81
TPSA: 406.25 NumAromaticRings: 2

Unique Aglycone
AD01862
Formula: C21H24O9

Smiles:
CC1COC2(CC1OC(=O)c1ccccc1)OC1CC(C(=O)O)CC(O)C1(O)C2=O
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.57
AlogP: 0.52 Num_rotatable_bonds: 3
MolWt: 420.41 Num_heavy_atoms: 30
TPSA: 139.59 NumAromaticRings: 1
AD09970
Formula: C22H26O9

Smiles:
COC(=O)C1CC(O)C2(O)C(=O)C3(CC(OC(=O)c4ccccc4)C(C)CO3)OC2C1
HBA: 9 RingCount: 4
HBD: 2 FractionCSP3: 0.59
AlogP: 0.61 Num_rotatable_bonds: 3
MolWt: 434.44 Num_heavy_atoms: 31
TPSA: 128.59 NumAromaticRings: 1

Sugarmoiety
SD01825

OCC1OOC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O