Glycoside
...
GD023111

Name:
None

Formula:
C41H54O13N2

Smiles:
CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)[C@H]1[C@H]2C

Aglycone:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(C(=O)OCc3ccc(O)c([N+](=O)[O-])c3)C1C2C

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 5 FractionCSP3: 0.71
AlogP: 4.23 Num_rotatable_bonds: 6
MolWt: 782.88 Num_heavy_atoms: 56
TPSA: 218.59 NumAromaticRings: 1

Unique Aglycone
AD15583
Formula: C35H46O7N2

Smiles:
CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CN(C(=O)OCc3ccc(O)c([N+](=O)[O-])c3)C1C2C
HBA: 9 RingCount: 7
HBD: 2 FractionCSP3: 0.69
AlogP: 6.66 Num_rotatable_bonds: 3
MolWt: 606.76 Num_heavy_atoms: 44
TPSA: 122.37 NumAromaticRings: 1

Sugarmoiety
SD00030

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