Glycoside
...
GD117301

Name:
Monazomycin

Formula:
C72H133O22N

Smiles:
CC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCN)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O

Aglycone:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCN)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O

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

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 20 FractionCSP3: 0.88
AlogP: 3.5 Num_rotatable_bonds: 10
MolWt: 1364.84 Num_heavy_atoms: 95
TPSA: 434.92 NumAromaticRings: 0

Unique Aglycone
AD46750
Formula: C66H123O17N

Smiles:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)C=CC(C)C(O)C(C)CCC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CCCCCCN)OC(=O)CCCCCC(O)C(C)C(O)CCC=CC(C)C1O
HBA: 18 RingCount: 1
HBD: 17 FractionCSP3: 0.86
AlogP: 5.67 Num_rotatable_bonds: 7
MolWt: 1202.7 Num_heavy_atoms: 84
TPSA: 355.77 NumAromaticRings: 0

Sugarmoiety
SD00003

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