Glycoside
...
GD124715

Name:
Tiacumicin D

Formula:
C54H74O18Cl2

Smiles:
CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)OC1C(O)C(C)OC(OCC2=CC=CCC(O)C(C)=CC(CC)C(OC3OC(C)(C)C(O)C(O)C3OC(=O)C(C)C)C(C)=CC(C)=CCC(C(C)O)OC2=O)C1OC

Aglycone:
CC(C)C(=O)O.CCC1C=C(C)C(O)CC=CC=C(CO)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: 6.23 Num_rotatable_bonds: 13
MolWt: 1058.05 Num_heavy_atoms: 72
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
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
AD06775
Formula: C25H38O6

Smiles:
CCC1C=C(C)C(O)CC=CC=C(CO)C(=O)OC(C(C)O)CC=C(C)C=C(C)C1O
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.56
AlogP: 3.13 Num_rotatable_bonds: 3
MolWt: 434.57 Num_heavy_atoms: 31
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00701

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