Glycoside
...
GD020947

Name:
None

Formula:
C46H66O14N2

Smiles:
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6NC(=O)c6cccc([N+](=O)[O-])c6)CC[C@@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.NC(=O)c1cccc([N+](=O)[O-])c1

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 6 FractionCSP3: 0.8
AlogP: 3.74 Num_rotatable_bonds: 8
MolWt: 871.03 Num_heavy_atoms: 62
TPSA: 228.77 NumAromaticRings: 1

Unique Aglycone
AD00005
Formula: C27H42O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 0.93
AlogP: 5.71 Num_rotatable_bonds: 0
MolWt: 414.63 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0
AD06931
Formula: C7H6O3N2

Smiles:
NC(=O)c1cccc([N+](=O)[O-])c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.69 Num_rotatable_bonds: 2
MolWt: 166.14 Num_heavy_atoms: 12
TPSA: 86.23 NumAromaticRings: 1

Sugarmoiety
SD01124

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O