Glycoside
...
GD121805

Name:
Teicoplanin A2-5

Formula:
C91H99O33N9Cl2

Smiles:
CC(O)=NC1C(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3OC3OC(CO)C(O)C(O)C3N=C(O)CCCCCCCC(C)C)Oc3ccc(cc3Cl)CC3N=C(O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(N=C3O)C(O)=NC4C(O)=NC3C(O)=NC2C(O)=NC(C(=O)O)c2cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c2-c2cc3ccc2O)OC(CO)C(O)C1O

Aglycone:
CC(C)CCCCCCCC(=N)O.NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 16
HBD: 25 FractionCSP3: 0.43
AlogP: 8.13 Num_rotatable_bonds: 20
MolWt: 1893.71 Num_heavy_atoms: 133
TPSA: 690.33 NumAromaticRings: 7

Unique Aglycone
AD46331
Formula: C60H45O18N7Cl2

Smiles:
NC1C(O)=NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O
HBA: 25 RingCount: 13
HBD: 16 FractionCSP3: 0.16
AlogP: 10.03 Num_rotatable_bonds: 1
MolWt: 1198.94 Num_heavy_atoms: 85
TPSA: 428.16 NumAromaticRings: 7
AD47906
Formula: C11H23ON

Smiles:
CC(C)CCCCCCCC(=N)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 3.91 Num_rotatable_bonds: 8
MolWt: 185.31 Num_heavy_atoms: 13
TPSA: 44.08 NumAromaticRings: 0

Sugarmoiety
SD04885

CC(O)=NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O