Glycoside
...
GD040110

Name:
(2r,3s,4r,5r,7s,9s,10s,11r,12s,13r)-12-(((2r,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy)-2-((s)-1-(((2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)propan-2-yl)-10-(((2s,3r,4r,6r)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2h-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate

Formula:
C58H96O24N4S

Smiles:
CON[C@@H]1C[C@@H](C)O[C@H](O[C@@H]2[C@@H](C)C[C@](C)(OC(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)[C@@H]([C@H](C)CO[C@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@@H]3OC)OC(=O)[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@@H](O)[C@@H](C)O3)[C@H]2C)[C@@H]1O

Aglycone:
CONC1CC(C)OC(OC2C(C)CC(C)(OC(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)C1O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 28 RingCount: 5
HBD: 7 FractionCSP3: 0.83
AlogP: 3.2 Num_rotatable_bonds: 22
MolWt: 1265.48 Num_heavy_atoms: 87
TPSA: 373.33 NumAromaticRings: 1

Unique Aglycone
AD24666
Formula: C43H70O17N4S

Smiles:
CONC1CC(C)OC(OC2C(C)CC(C)(OC(=O)NCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)C1O
HBA: 21 RingCount: 3
HBD: 6 FractionCSP3: 0.77
AlogP: 2.77 Num_rotatable_bonds: 16
MolWt: 947.11 Num_heavy_atoms: 65
TPSA: 297.72 NumAromaticRings: 1

Sugarmoiety
SD03554

CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OC