Glycoside
...
GD115209

Name:
Mirabamide E

Formula:
C73H112O24N13Cl

Smiles:
CC=C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(OC3OC(C)C(O)C(O)C3O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N

Aglycone:
CC=C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 4
HBD: 19 FractionCSP3: 0.65
AlogP: 4.17 Num_rotatable_bonds: 28
MolWt: 1579.21 Num_heavy_atoms: 110
TPSA: 588.63 NumAromaticRings: 1

Unique Aglycone
AD45530
Formula: C67H102O20N13Cl

Smiles:
CC=C(N=C(O)CN=C(O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(O)=NC(C(O)=NC(C(O)=NC1C(O)=NC(COC)C(O)=NCC(O)=NC(C)C(=O)N(C)C(C(C)O)C(O)=NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N
HBA: 33 RingCount: 3
HBD: 17 FractionCSP3: 0.62
AlogP: 5.67 Num_rotatable_bonds: 26
MolWt: 1433.07 Num_heavy_atoms: 100
TPSA: 529.71 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O