Glycoside
...
GD139146

Name:
keratinimicin b

Formula:
C80H83O26N9Cl2

Smiles:
COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3OC3OC(CO)C(O)C(O)C3OC3CC(N)C(O)C(C)O3)Oc3ccc(cc3)C(O)C(N=C(O)C(N)c3ccc(O)c(Cl)c3)C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C

Aglycone:
CC1OC(O)CC(N)C1O.COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3)C(O)C(N=C(O)C(N)c3ccc(O)c(Cl)c3)C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C

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

Other Identifiers

Properties
HBA: 35 RingCount: 15
HBD: 22 FractionCSP3: 0.37
AlogP: 7.4 Num_rotatable_bonds: 14
MolWt: 1633.47 Num_heavy_atoms: 115
TPSA: 576.04 NumAromaticRings: 7

Unique Aglycone
AD01040
Formula: C6H13O3N

Smiles:
CC1OC(O)CC(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.2 Num_rotatable_bonds: 0
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 75.71 NumAromaticRings: 0
AD45082
Formula: C68H62O19N8Cl2

Smiles:
COC1C(N)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3)C(O)C(N=C(O)C(N)c3ccc(O)c(Cl)c3)C(O)=NC(Cc3ccccc3)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC1C
HBA: 27 RingCount: 13
HBD: 17 FractionCSP3: 0.26
AlogP: 10.08 Num_rotatable_bonds: 9
MolWt: 1342.16 Num_heavy_atoms: 95
TPSA: 452.41 NumAromaticRings: 7

Sugarmoiety
SD00003

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