Glycoside
...
GD011257

Name:
None

Formula:
C56H74O21N2

Smiles:
COC(=O)N[C@@H]1[C@H](C)O[C@H](O[C@@H]2CC=C(C)[C@]3(C)C=C[C@@H]4[C@H](O[C@@H]5C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O5)[C@H](C)C[C@H](C)[C@H]4[C@@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]

Aglycone:
COC(=O)NC1C(C)OC(OC2CC=C(C)C3(C)C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(OC(C)=O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-].COC(C)=O

Sugarmoiety:
CC(=O)OCC1OC(O)COC1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 2 FractionCSP3: 0.68
AlogP: 5.73 Num_rotatable_bonds: 12
MolWt: 1111.2 Num_heavy_atoms: 79
TPSA: 304.26 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD08622
Formula: C44H58O14N2

Smiles:
COC(=O)NC1C(C)OC(OC2CC=C(C)C3(C)C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(OC(C)=O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-]
HBA: 16 RingCount: 6
HBD: 3 FractionCSP3: 0.66
AlogP: 5.17 Num_rotatable_bonds: 6
MolWt: 838.95 Num_heavy_atoms: 60
TPSA: 227.13 NumAromaticRings: 0

Sugarmoiety
SD01632

CC(=O)OCC1OC(O)COC1OC(C)=O