Glycoside
...
GD031581

Name:
MIRABAMIDE E

Formula:
C73H112O24N13Cl

Smiles:
CC=C(NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)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)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@H]1C(C)C)[C@H](C)[C@H](C)C(N)=O)[C@H](C)N

Aglycone:
CC=C(NC(=O)CNC(=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: -4.44 Num_rotatable_bonds: 28
MolWt: 1579.21 Num_heavy_atoms: 110
TPSA: 556.23 NumAromaticRings: 1

Unique Aglycone
AD20334
Formula: C67H102O20N13Cl

Smiles:
CC=C(NC(=O)CNC(=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: -2.94 Num_rotatable_bonds: 26
MolWt: 1433.07 Num_heavy_atoms: 100
TPSA: 497.31 NumAromaticRings: 1

Sugarmoiety
SD00076

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