Glycoside
...
GD131296

Name:
Octacyclomycin

Formula:
C52H88O19

Smiles:
COC1CCC(OC2CC(C3OC(O)(CO)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC6CCC(OC)C(C)O6)C5OC)O4)O3)O2)OC1C

Aglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C.COC1CCC(O)OC1C

Sugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.98
AlogP: 4.57 Num_rotatable_bonds: 15
MolWt: 1017.26 Num_heavy_atoms: 71
TPSA: 238.21 NumAromaticRings: 0

Unique Aglycone
AD02921
Formula: C7H14O3

Smiles:
COC1CCC(O)OC1C
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.52 Num_rotatable_bonds: 1
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 38.69 NumAromaticRings: 0
AD49603
Formula: C36H62O11

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C
HBA: 11 RingCount: 6
HBD: 3 FractionCSP3: 1.0
AlogP: 4.21 Num_rotatable_bonds: 8
MolWt: 670.88 Num_heavy_atoms: 47
TPSA: 134.53 NumAromaticRings: 0

Sugarmoiety
SD01005

COC1C(O)OC(O)(CC(=O)O)C(C)C1O