Glycoside
...
GD017929

Name:
None

Formula:
C52H59O19N

Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](OC(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Aglycone:
CC(=O)OC1C(=O)C2(C)CCC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Sugarmoiety:
O=C(OO)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 7 FractionCSP3: 0.48
AlogP: 1.36 Num_rotatable_bonds: 15
MolWt: 1002.03 Num_heavy_atoms: 72
TPSA: 308.28 NumAromaticRings: 3

Unique Aglycone
AD12736
Formula: C47H51O13N

Smiles:
CC(=O)OC1C(=O)C2(C)CCC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 14 RingCount: 7
HBD: 3 FractionCSP3: 0.45
AlogP: 4.76 Num_rotatable_bonds: 10
MolWt: 837.92 Num_heavy_atoms: 61
TPSA: 201.06 NumAromaticRings: 3

Sugarmoiety
SD00671

O=C(OO)C(O)C(O)C(O)CO