Glycoside
...
GD017956

Name:
None

Formula:
C37H53O13N

Smiles:
CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@]3(C)C[C@H](O)[C@H]([C@@](C)(O)C(=O)C[C@@H]4NC(=O)OC4(C)C)[C@@]3(C)CC(=O)[C@@]21C

Aglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC3NC(=O)OC3(C)C)C(O)CC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.78
AlogP: 0.83 Num_rotatable_bonds: 7
MolWt: 719.83 Num_heavy_atoms: 51
TPSA: 229.38 NumAromaticRings: 0

Unique Aglycone
AD12750
Formula: C31H43O8N

Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC3NC(=O)OC3(C)C)C(O)CC12C
HBA: 9 RingCount: 5
HBD: 4 FractionCSP3: 0.74
AlogP: 3.57 Num_rotatable_bonds: 4
MolWt: 557.68 Num_heavy_atoms: 40
TPSA: 150.23 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O