Glycoside
GD133188
Name:
2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹â°.0â´,â¸.0¹âµ,²³.0¹â¸,²²]pentacosa-2(10),3,8,15,17,22-hexaen-24-yl}oxy)oxane-3,4,5-triolFormula:
C26H29O11NSmiles:
CN1CCc2cc3c(cc2C2OC(OC4OC(CO)C(O)C(O)C4O)c4c(ccc5c4OCO5)C21)OCO3Aglycone:
CN1CCc2cc3c(cc2C2OC(O)c4c(ccc5c4OCO5)C21)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 531.51 | Num_heavy_atoms: | 38 |
| TPSA: | 148.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD53919
Formula: C20H19O6N
Smiles:
CN1CCc2cc3c(cc2C2OC(O)c4c(ccc5c4OCO5)C21)OCO3| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 369.37 | Num_heavy_atoms: | 27 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
