Glycoside
...
GD014980

Name:
None

Formula:
C61H65O24N3

Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)N(C)c3cc([N+](=O)[O-])ccc3O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Aglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)c3cc([N+](=O)[O-])ccc3O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

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

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 7 FractionCSP3: 0.44
AlogP: 3.2 Num_rotatable_bonds: 16
MolWt: 1224.19 Num_heavy_atoms: 88
TPSA: 390.19 NumAromaticRings: 4

Unique Aglycone
AD10958
Formula: C55H57O18N3

Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)c3cc([N+](=O)[O-])ccc3O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 21 RingCount: 8
HBD: 4 FractionCSP3: 0.4
AlogP: 5.63 Num_rotatable_bonds: 13
MolWt: 1048.06 Num_heavy_atoms: 76
TPSA: 293.97 NumAromaticRings: 4

Sugarmoiety
SD00030

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