Glycoside
...
GD138629

Name:
nanaomycin h

Formula:
C33H44O19N2S

Smiles:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)c1c(O)cccc1C2=O)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)c1c(O)cccc1C2=O)C(=N)O.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 13 FractionCSP3: 0.67
AlogP: -4.06 Num_rotatable_bonds: 11
MolWt: 804.78 Num_heavy_atoms: 55
TPSA: 366.61 NumAromaticRings: 1

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD55939
Formula: C21H24O9N2S

Smiles:
CC(O)=NC(CSC12CC(CC(=O)O)OC(C)C1(O)C(=O)c1c(O)cccc1C2=O)C(=N)O
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.48
AlogP: 1.51 Num_rotatable_bonds: 7
MolWt: 480.5 Num_heavy_atoms: 33
TPSA: 197.8 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O