Glycoside
...
GD035229

Name:
None

Formula:
C74H135O17N9S

Smiles:
CCCCCCCCCCCCCCCCOC(COC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)OCc1cn(CCCCCCCCCCCCCCCCSC[C@@H]2O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)nn1

Aglycone:
CCCCCCCCCCCCCCCCOC(COCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)OCc1cn(CCCCCCCCCCCCCCCCSC)nn1.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: 0.89
AlogP: 6.37 Num_rotatable_bonds: 50
MolWt: 1455.01 Num_heavy_atoms: 101
TPSA: 420.74 NumAromaticRings: 2

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
AD22306
Formula: C52H93O5N3S

Smiles:
CCCCCCCCCCCCCCCCOC(COCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)OCc1cn(CCCCCCCCCCCCCCCCSC)nn1
HBA: 8 RingCount: 3
HBD: 1 FractionCSP3: 0.85
AlogP: 14.87 Num_rotatable_bonds: 40
MolWt: 872.4 Num_heavy_atoms: 61
TPSA: 87.86 NumAromaticRings: 2

Sugarmoiety
SD00021

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