Glycoside
...
GD141696

Name:
Amycolamycin A

Formula:
C40H40O14NCl

Smiles:
COc1cc2c(Cl)c(c1OC)OC1c3ccc(cc3C3=CCC(O)C31OC1OCC(N=C(O)c3c(C)ccc(C)c3O)C(C)(O)C1O)C1OC1OC(=O)C2O

Aglycone:
COc1cc2c(Cl)c(c1OC)OC1c3ccc(cc3C3=CCC(O)C31O)C1OC1OC(=O)C2O.Cc1ccc(C)c(C(=N)O)c1O

Sugarmoiety:
CC1(O)C(O)COC(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 6 FractionCSP3: 0.44
AlogP: 3.55 Num_rotatable_bonds: 6
MolWt: 782.2 Num_heavy_atoms: 55
TPSA: 218.72 NumAromaticRings: 3

Unique Aglycone
AD47524
Formula: C9H11O2N

Smiles:
Cc1ccc(C)c(C(=N)O)c1O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.22
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 64.31 NumAromaticRings: 1
AD57067
Formula: C25H21O9Cl

Smiles:
COc1cc2c(Cl)c(c1OC)OC1c3ccc(cc3C3=CCC(O)C31O)C1OC1OC(=O)C2O
HBA: 9 RingCount: 7
HBD: 3 FractionCSP3: 0.38
AlogP: 2.36 Num_rotatable_bonds: 2
MolWt: 488.88 Num_heavy_atoms: 34
TPSA: 127.21 NumAromaticRings: 2

Sugarmoiety
SD05301

CC1(O)C(O)COC(O)C1O