Glycoside
...
GD142599

Name:
Aranciamycin Anhydride

Formula:
C36H36O16

Smiles:
COC1C(COC2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)C(C)(O)C2OC)OC(C)C(OC(=O)CCC2=C(C)C(=O)OC2=O)C1O

Aglycone:
CC1=C(CCC(=O)O)C(=O)OC1=O.COC1c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C(C)(O)C1OC

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 4 FractionCSP3: 0.44
AlogP: 1.15 Num_rotatable_bonds: 9
MolWt: 724.67 Num_heavy_atoms: 52
TPSA: 238.72 NumAromaticRings: 2

Unique Aglycone
AD57381
Formula: C8H8O5

Smiles:
CC1=C(CCC(=O)O)C(=O)OC1=O
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.38
AlogP: 0.25 Num_rotatable_bonds: 3
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 80.67 NumAromaticRings: 0
AD57382
Formula: C21H18O8

Smiles:
COC1c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C(C)(O)C1OC
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.29
AlogP: 1.52 Num_rotatable_bonds: 2
MolWt: 398.37 Num_heavy_atoms: 29
TPSA: 130.36 NumAromaticRings: 2

Sugarmoiety
SD00297

COC1C(O)OC(C)C(O)C1O