Glycoside
...
GD117580

Name:
Gavibamycin A1

Formula:
C62H86O32Cl2

Smiles:
COCC1OC(OC2OCC3OC4(OC3C2OC(=O)C(C)C)OC(C)C(O)(C(C)=O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6O)C(C)O5)C(C)O4)OC3C(C)O2)C1O

Aglycone:
CC(=O)C1(O)C(C)OC2(OC3COC(O)C(OC(=O)C(C)C)C3O2)C2OCOC21.CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2.Cc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O

Sugarmoiety:
CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 7 FractionCSP3: 0.85
AlogP: 0.75 Num_rotatable_bonds: 17
MolWt: 1390.22 Num_heavy_atoms: 94
TPSA: 395.88 NumAromaticRings: 1

Unique Aglycone
AD23886
Formula: C18H26O11

Smiles:
CC(=O)C1(O)C(C)OC2(OC3COC(O)C(OC(=O)C(C)C)C3O2)C2OCOC21
HBA: 11 RingCount: 4
HBD: 2 FractionCSP3: 0.89
AlogP: -1.18 Num_rotatable_bonds: 3
MolWt: 418.4 Num_heavy_atoms: 29
TPSA: 139.21 NumAromaticRings: 0
AD23887
Formula: C13H22O7

Smiles:
CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 1.0
AlogP: -0.53 Num_rotatable_bonds: 0
MolWt: 290.31 Num_heavy_atoms: 20
TPSA: 97.61 NumAromaticRings: 0
AD46897
Formula: C10H6O4Cl2

Smiles:
Cc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 2.41 Num_rotatable_bonds: 1
MolWt: 237.04 Num_heavy_atoms: 14
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00768

CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O