Glycoside
...
GD006355

Name:
LIPIARMYCIN

Formula:
C53H72O18Cl2

Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@@H]1[C@H](C)O[C@H](OC2=CC=CC[C@H](O)C(C)=C[C@H](CC)[C@H](O[C@@H]3OC(C)(C)[C@H](OC(=O)C(C)C)[C@H](O)[C@H]3O)C(C)=CC(C)=CC[C@H]([C@H](C)O)OC2=O)[C@H](OC)[C@H]1O

Aglycone:
CC(C)C(=O)O.CCC1C=C(C)C(O)CC=CC=C(O)C(=O)OC(C(C)O)CC=C(C)C=C(C)C1O.CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O

Sugarmoiety:
CC1(C)OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 7 FractionCSP3: 0.63
AlogP: 6.19 Num_rotatable_bonds: 12
MolWt: 1044.03 Num_heavy_atoms: 71
TPSA: 266.66 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
AD05272
Formula: C24H36O6

Smiles:
CCC1C=C(C)C(O)CC=CC=C(O)C(=O)OC(C(C)O)CC=C(C)C=C(C)C1O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.54
AlogP: 3.66 Num_rotatable_bonds: 2
MolWt: 420.55 Num_heavy_atoms: 30
TPSA: 107.22 NumAromaticRings: 0
AD05273
Formula: C11H8O4Cl2

Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 2.67 Num_rotatable_bonds: 2
MolWt: 251.06 Num_heavy_atoms: 15
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00701

CC1(C)OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1O