Glycoside
...
GD124973

Name:
Neocitreamicin Ii

Formula:
C44H43O15N

Smiles:
CC(=O)OC1C(O)CC(Oc2ccc3oc4c(c(=O)c3c2)C(=O)c2c(ccc3cc5c(c(O)c23)C(=O)N2C(C)(C5)OC(=O)C2(C)COC(=O)C(C)CC(C)C)C4=O)OC1C

Aglycone:
CC(C)CC(C)C(=O)OCC1(C)C(=O)OC2(C)Cc3cc4ccc5c(c4c(O)c3C(=O)N21)C(=O)c1c(oc2ccc(O)cc2c1=O)C5=O

Sugarmoiety:
CC(=O)OC1C(O)CC(O)OC1C

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 2 FractionCSP3: 0.43
AlogP: 4.49 Num_rotatable_bonds: 8
MolWt: 825.82 Num_heavy_atoms: 60
TPSA: 222.48 NumAromaticRings: 4

Unique Aglycone
AD50533
Formula: C36H31O11N

Smiles:
CC(C)CC(C)C(=O)OCC1(C)C(=O)OC2(C)Cc3cc4ccc5c(c4c(O)c3C(=O)N21)C(=O)c1c(oc2ccc(O)cc2c1=O)C5=O
HBA: 12 RingCount: 7
HBD: 2 FractionCSP3: 0.33
AlogP: 4.39 Num_rotatable_bonds: 5
MolWt: 653.64 Num_heavy_atoms: 48
TPSA: 177.72 NumAromaticRings: 4

Sugarmoiety
SD03342

CC(=O)OC1C(O)CC(O)OC1C