Glycoside
...
GD144421

Name:
methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-10-{5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,6-dimethyl-4-(methylamino)oxan-2-yl}-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl]-2-hydroxyacetate

Formula:
C46H57O18N

Smiles:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(O)(C(=O)OC)C4OC(C)C(O)C(OC)C4O)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1OC1CC(OC)C(O)C(C)O1

Aglycone:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(O)C(=O)OC)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1O

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 6 FractionCSP3: 0.61
AlogP: 1.52 Num_rotatable_bonds: 10
MolWt: 911.95 Num_heavy_atoms: 65
TPSA: 271.74 NumAromaticRings: 3

Unique Aglycone
AD56386
Formula: C32H33O11N

Smiles:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(O)C(=O)OC)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1O
HBA: 12 RingCount: 6
HBD: 4 FractionCSP3: 0.44
AlogP: 2.3 Num_rotatable_bonds: 5
MolWt: 607.61 Num_heavy_atoms: 44
TPSA: 185.13 NumAromaticRings: 3

Sugarmoiety
SD00174

COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1O