Glycoside
...
GD018938

Name:
None

Formula:
C63H76O15N10F6

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](CO[C@@H]1O[C@H](CO)[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(CO)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: 7
HBD: 15 FractionCSP3: 0.46
AlogP: 1.14 Num_rotatable_bonds: 29
MolWt: 1327.34 Num_heavy_atoms: 94
TPSA: 385.43 NumAromaticRings: 5

Unique Aglycone
AD13271
Formula: C57H66O10N10F6

Smiles:
CCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
HBA: 20 RingCount: 6
HBD: 12 FractionCSP3: 0.4
AlogP: 3.32 Num_rotatable_bonds: 26
MolWt: 1165.2 Num_heavy_atoms: 83
TPSA: 306.28 NumAromaticRings: 5

Sugarmoiety
SD00003

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