Glycoside
...
GD014375

Name:
None

Formula:
C70H89O15N11F6

Smiles:
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO[C@@H]1O[C@H](CC)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Aglycone:
CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Sugarmoiety:
CCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 15 FractionCSP3: 0.5
AlogP: 3.09 Num_rotatable_bonds: 33
MolWt: 1438.53 Num_heavy_atoms: 102
TPSA: 394.3 NumAromaticRings: 5

Unique Aglycone
AD10575
Formula: C63H77O11N11F6

Smiles:
CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
HBA: 22 RingCount: 6
HBD: 13 FractionCSP3: 0.44
AlogP: 3.85 Num_rotatable_bonds: 30
MolWt: 1278.36 Num_heavy_atoms: 91
TPSA: 335.38 NumAromaticRings: 5

Sugarmoiety
SD00243

CCC1OC(O)C(O)C(O)C1O