Glycoside
...
GD112085

Name:
None

Formula:
C41H47O14N

Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.OC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 1 FractionCSP3: 0.46
AlogP: 3.67 Num_rotatable_bonds: 14
MolWt: 777.82 Num_heavy_atoms: 56
TPSA: 172.61 NumAromaticRings: 3

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
AD44750
Formula: C27H28O6

Smiles:
OC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OCc1ccccc1
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.33
AlogP: 3.99 Num_rotatable_bonds: 7
MolWt: 448.52 Num_heavy_atoms: 33
TPSA: 66.38 NumAromaticRings: 3

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O