Glycoside
...
GD000999

Name:
MIRABAMIDE D

Formula:
C72H115O25N13

Smiles:
CCC(C)C=C(C)C=CC(O)C(C)(O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](COC)C(=O)NCC(=O)N[C@H](C)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](OC)c2ccc(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2)C(=O)N2CCCC[C@H]2C(=O)O[C@H]1C(C)C)[C@H](C)[C@H](C)C(N)=O)[C@H](C)N)[C@H](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: -5.81 Num_rotatable_bonds: 29
MolWt: 1562.78 Num_heavy_atoms: 110
TPSA: 576.46 NumAromaticRings: 1

Unique Aglycone
AD01039
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: -4.31 Num_rotatable_bonds: 27
MolWt: 1416.64 Num_heavy_atoms: 100
TPSA: 517.54 NumAromaticRings: 1

Sugarmoiety
SD00076

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