Glycoside
GD149100
Name:
N-(3,4,14-trimethoxy-13-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.5.0.0²,â·]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl)acetamideFormula:
C27H33O11NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(N=C(C)O)CC2Aglycone:
COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(N=C(C)O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 547.56 | Num_heavy_atoms: | 39 |
| TPSA: | 176.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD59624
Formula: C21H23O6N
Smiles:
COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(N=C(C)O)CC2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.42 | Num_heavy_atoms: | 28 |
| TPSA: | 97.58 | NumAromaticRings: | 2 |
