Glycoside
...
GD033985

Name:
None

Formula:
C34H38O9N7FS

Smiles:
O=C(Cn1cc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
O=C(Cn1cc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: 0.62 Num_rotatable_bonds: 11
MolWt: 739.78 Num_heavy_atoms: 52
TPSA: 215.74 NumAromaticRings: 4

Unique Aglycone
AD21653
Formula: C28H28O4N7FS

Smiles:
O=C(Cn1cc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.32
AlogP: 3.01 Num_rotatable_bonds: 8
MolWt: 577.64 Num_heavy_atoms: 41
TPSA: 125.59 NumAromaticRings: 4

Sugarmoiety
SD00003

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