Glycoside
GD123763
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]acetateFormula:
C46H57O17NSmiles:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(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)O1Aglycone:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(CC(=O)OC)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1OSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 895.95 | Num_heavy_atoms: | 64 |
| TPSA: | 251.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD49963
Formula: C32H33O10N
Smiles:
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(CC(=O)OC)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.61 | Num_heavy_atoms: | 43 |
| TPSA: | 164.9 | NumAromaticRings: | 3 |
