Glycoside
...
GD111583

Name:
None

Formula:
C38H39O14N

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(NC(Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 2 FractionCSP3: 0.37
AlogP: 3.68 Num_rotatable_bonds: 13
MolWt: 733.72 Num_heavy_atoms: 53
TPSA: 199.29 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
AD44724
Formula: C24H21O5N

Smiles:
O=C(NC(Cc1ccc(O)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.17
AlogP: 3.93 Num_rotatable_bonds: 6
MolWt: 403.43 Num_heavy_atoms: 30
TPSA: 95.86 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O