Glycoside
...
GD037524

Name:
None

Formula:
C36H42O9N7FS

Smiles:
O=C(CCn1cc(CCN2CCN(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(CCn1cc(CCN2CCN(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: 0.47
AlogP: 1.05 Num_rotatable_bonds: 13
MolWt: 767.84 Num_heavy_atoms: 54
TPSA: 215.74 NumAromaticRings: 4

Unique Aglycone
AD23626
Formula: C30H32O4N7FS

Smiles:
O=C(CCn1cc(CCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1)Nc1ccc(S)cc1
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.37
AlogP: 3.45 Num_rotatable_bonds: 10
MolWt: 605.7 Num_heavy_atoms: 43
TPSA: 125.59 NumAromaticRings: 4

Sugarmoiety
SD00003

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