Glycoside
GD146158
Name:
4-(9-methoxy-14-oxo-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,15-dioxatetracyclo[11.7.0.0³,¹¹.0â´,â¸]icosa-3,5,8,10-tetraen-19-yn-5-yl)pyrrolidin-2-oneFormula:
C29H33O11NSmiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)c2c(c3c(C4CN=C(O)C4)coc13)CC1C#CCCCOC(=O)C1C2Aglycone:
COc1c(O)c2c(c3c(C4CN=C(O)C4)coc13)CC1C#CCCCOC(=O)C1C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 571.58 | Num_heavy_atoms: | 41 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD58624
Formula: C23H23O6N
Smiles:
COc1c(O)c2c(c3c(C4CN=C(O)C4)coc13)CC1C#CCCCOC(=O)C1C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 409.44 | Num_heavy_atoms: | 30 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
