Glycoside
...
GD006444

Name:
None

Formula:
C47H52O12N4

Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@@H]3C[C@H](C(=CC)C=[N+]3[O-])[C@H]5CC(=O)OC)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21

Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21.CC=C1C=[N+]([O-])C2CC1C(CC(=O)OC)C13CC(OC)OC21Nc1ccccc13

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 11
HBD: 5 FractionCSP3: 0.51
AlogP: 3.41 Num_rotatable_bonds: 8
MolWt: 864.95 Num_heavy_atoms: 63
TPSA: 207.34 NumAromaticRings: 3

Unique Aglycone
AD05340
Formula: C20H20O3N2

Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.35
AlogP: 2.65 Num_rotatable_bonds: 1
MolWt: 336.39 Num_heavy_atoms: 25
TPSA: 65.56 NumAromaticRings: 2
AD05341
Formula: C22H26O5N2

Smiles:
CC=C1C=[N+]([O-])C2CC1C(CC(=O)OC)C13CC(OC)OC21Nc1ccccc13
HBA: 7 RingCount: 5
HBD: 1 FractionCSP3: 0.55
AlogP: 2.55 Num_rotatable_bonds: 3
MolWt: 398.46 Num_heavy_atoms: 29
TPSA: 82.86 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O