Glycoside
GD134238
Name:
21-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18,20-dioxa-5,15-diazahexacyclo[17.3.1.0³,¹âµ.0â´,¹².0â¶,¹¹.0¹â¶,²²]tricosa-4(12),6,8,10-tetraene-23-carboxylic acidFormula:
C26H32O10N2Smiles:
O=C(O)C1C2OCC3C(C(OC4OC(CO)C(O)C(O)C4O)O2)C1CC1c2[nH]c4ccccc4c2CCN13Aglycone:
O=C(O)C1C2OCC3C(C(O)O2)C1CC1c2[nH]c4ccccc4c2CCN13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 532.55 | Num_heavy_atoms: | 38 |
| TPSA: | 174.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD54307
Formula: C20H22O5N2
Smiles:
O=C(O)C1C2OCC3C(C(O)O2)C1CC1c2[nH]c4ccccc4c2CCN13| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.41 | Num_heavy_atoms: | 27 |
| TPSA: | 95.02 | NumAromaticRings: | 2 |
