Glycoside
...
GD135919

Name:
Mirabamide D

Formula:
C72H115O25N13

Smiles:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(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)N2CCCCC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N)C(C)O

Aglycone:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(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)N2CCCCC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N)C(C)O

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

Other Identifiers

Properties
HBA: 38 RingCount: 4
HBD: 20 FractionCSP3: 0.68
AlogP: 2.8 Num_rotatable_bonds: 29
MolWt: 1562.78 Num_heavy_atoms: 110
TPSA: 608.86 NumAromaticRings: 1

Unique Aglycone
AD54946
Formula: C66H105O21N13

Smiles:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(O)=NCC(O)=NC(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)N2CCCCC2C(=O)OC1C(C)C)C(C)C(C)C(=N)O)C(C)N)C(C)O
HBA: 34 RingCount: 3
HBD: 18 FractionCSP3: 0.65
AlogP: 4.3 Num_rotatable_bonds: 27
MolWt: 1416.64 Num_heavy_atoms: 100
TPSA: 549.94 NumAromaticRings: 1

Sugarmoiety
SD00076

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