Glycoside
...
GD018984

Name:
MIRABAMIDE B

Formula:
C73H111O25N12Cl

Smiles:
CC=C(NC(=O)[C@H](NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)[C@H](C)O)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

Aglycone:
CC=C(NC(=O)C(NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)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

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

Other Identifiers

Properties
HBA: 37 RingCount: 4
HBD: 18 FractionCSP3: 0.65
AlogP: -4.41 Num_rotatable_bonds: 28
MolWt: 1580.19 Num_heavy_atoms: 110
TPSA: 550.44 NumAromaticRings: 1

Unique Aglycone
AD13305
Formula: C67H101O21N12Cl

Smiles:
CC=C(NC(=O)C(NC(=O)CNC(=O)C(C)(O)C(O)C=CC(C)=CC(C)CC)C(C)O)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
HBA: 33 RingCount: 3
HBD: 16 FractionCSP3: 0.62
AlogP: -2.91 Num_rotatable_bonds: 26
MolWt: 1434.05 Num_heavy_atoms: 100
TPSA: 491.52 NumAromaticRings: 1

Sugarmoiety
SD00076

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