Glycoside
...
GD003379

Name:
None

Formula:
C64H80O15N10F6

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)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CC(C)C)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)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 16 FractionCSP3: 0.47
AlogP: 1.68 Num_rotatable_bonds: 32
MolWt: 1343.39 Num_heavy_atoms: 95
TPSA: 394.22 NumAromaticRings: 5

Unique Aglycone
AD03071
Formula: C58H70O10N10F6

Smiles:
CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
HBA: 20 RingCount: 5
HBD: 13 FractionCSP3: 0.41
AlogP: 3.86 Num_rotatable_bonds: 29
MolWt: 1181.25 Num_heavy_atoms: 84
TPSA: 315.07 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O