Glycoside
...
GD003554

Name:
None

Formula:
C47H79O16N10FS2

Smiles:
CC(=O)NC[C@@H]1CN(c2ccc(N3CCN(C(=O)CSCCCCCCSC[C@@H]4O[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CN)[C@H](O)[C@H](O)[C@H]6N)[C@@H](N)C[C@@H](N)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)CC3)c(F)c2)C(=O)O1

Aglycone:
CSCCCCCCSCC(=O)N1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 19 FractionCSP3: 0.81
AlogP: -4.91 Num_rotatable_bonds: 23
MolWt: 1123.34 Num_heavy_atoms: 76
TPSA: 415.07 NumAromaticRings: 1

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD03218
Formula: C25H37O4N4FS2

Smiles:
CSCCCCCCSCC(=O)N1CCN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.64
AlogP: 3.59 Num_rotatable_bonds: 13
MolWt: 540.73 Num_heavy_atoms: 36
TPSA: 82.19 NumAromaticRings: 1

Sugarmoiety
SD00021

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O