Glycoside
...
GD024007

Name:
None

Formula:
C53H80O18N6

Smiles:
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1)C(C)C

Aglycone:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 7 FractionCSP3: 0.66
AlogP: 2.76 Num_rotatable_bonds: 26
MolWt: 1089.25 Num_heavy_atoms: 77
TPSA: 326.64 NumAromaticRings: 2

Unique Aglycone
AD16076
Formula: C47H72O12N6

Smiles:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(C)C
HBA: 18 RingCount: 3
HBD: 4 FractionCSP3: 0.64
AlogP: 5.19 Num_rotatable_bonds: 23
MolWt: 913.12 Num_heavy_atoms: 65
TPSA: 230.42 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O