Glycoside
...
GD023834

Name:
None

Formula:
C33H45O12N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NCCC2OCC(C)(C)CO2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)COC(CCNC(Cc2c[nH]c3ccccc23)C(N)=O)OC1.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 3 FractionCSP3: 0.61
AlogP: 1.66 Num_rotatable_bonds: 13
MolWt: 675.73 Num_heavy_atoms: 48
TPSA: 189.81 NumAromaticRings: 2

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
AD08458
Formula: C19H27O3N3

Smiles:
CC1(C)COC(CCNC(Cc2c[nH]c3ccccc23)C(N)=O)OC1
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.53
AlogP: 1.94 Num_rotatable_bonds: 7
MolWt: 345.44 Num_heavy_atoms: 25
TPSA: 89.37 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O