Glycoside
...
GD032088

Name:
None

Formula:
C44H87O20N9S4

Smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CSCCOCCSSCCOCCSC[C@@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O[C@@H]6O[C@H](CN)[C@H](O)[C@H](O)[C@H]6O)[C@@H](N)C[C@H]5N)[C@H](O)[C@H](N)[C@H]4O)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@H]1O

Aglycone:
CSCCOCCSSCCOCCSC.NC1CC(N)C(O)C(O)C1O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O

Sugarmoiety:
NC1C(O)C(O)OC(O)C1O.NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 6
HBD: 28 FractionCSP3: 1.0
AlogP: -9.68 Num_rotatable_bonds: 27
MolWt: 1190.49 Num_heavy_atoms: 77
TPSA: 528.78 NumAromaticRings: 0

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
AD01259
Formula: C10H22O2S4

Smiles:
CSCCOCCSSCCOCCSC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 3.13 Num_rotatable_bonds: 13
MolWt: 302.55 Num_heavy_atoms: 16
TPSA: 18.46 NumAromaticRings: 0
AD02993
Formula: C12H26O5N4

Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O
HBA: 9 RingCount: 2
HBD: 11 FractionCSP3: 1.0
AlogP: -4.09 Num_rotatable_bonds: 3
MolWt: 306.36 Num_heavy_atoms: 21
TPSA: 183.23 NumAromaticRings: 0

Sugarmoiety
SD03052

NC1C(O)C(O)OC(O)C1O.NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O