Glycoside
GD145131
Name:
N-methyl-N-(3,4,14-trimethoxy-13-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,â·.0¹²,¹â¶]hexadeca-1(11),2(7),3,5,14-pentaen-10-yl)acetamideFormula:
C28H35O11NSmiles:
COC1=CC2C3=C(C2C1=O)C(N(C)C(C)=O)CCc1cc(OC2OC(CO)C(O)C(O)C2O)c(OC)c(OC)c13Aglycone:
COC1=CC2C3=C(C2C1=O)C(N(C)C(C)=O)CCc1cc(O)c(OC)c(OC)c13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 561.58 | Num_heavy_atoms: | 40 |
| TPSA: | 164.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD58274
Formula: C22H25O6N
Smiles:
COC1=CC2C3=C(C2C1=O)C(N(C)C(C)=O)CCc1cc(O)c(OC)c(OC)c13| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.44 | Num_heavy_atoms: | 29 |
| TPSA: | 85.3 | NumAromaticRings: | 1 |
