Glycoside
...
GD038173

Name:
Avilamycin

Formula:
C63H88O32Cl2

Smiles:
COC[C@H]1O[C@@H](O[C@H]2OC[C@@H]3O[C@]4(O[C@@H]3[C@@H]2OC(=O)C(C)C)O[C@H](C)[C@](O)(C(C)=O)[C@@H]2OCO[C@@H]24)[C@@H](OC)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](C)[C@@H](OC)[C@H](O[C@H]2C[C@@]3(C)O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O

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.COc1c(Cl)c(O)c(Cl)c(C)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: 6 FractionCSP3: 0.85
AlogP: 1.05 Num_rotatable_bonds: 18
MolWt: 1404.25 Num_heavy_atoms: 95
TPSA: 384.88 NumAromaticRings: 1

Unique Aglycone
AD01435
Formula: C11H8O4Cl2

Smiles:
COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 2.71 Num_rotatable_bonds: 2
MolWt: 251.06 Num_heavy_atoms: 15
TPSA: 66.76 NumAromaticRings: 1
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

Sugarmoiety
SD00768

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