Glycoside
GD019234
Name:
13-[(1,3-dihydroxypropan-2-yl)amino]-6,20-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0²,¹â°.0â´,â¹.0¹¹,¹âµ.0¹â·,²²]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dioneFormula:
C29H28O11N4Smiles:
O=C1c2c(c3c4ccc(O)cc4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COAglycone:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.56 | Num_heavy_atoms: | 44 |
| TPSA: | 241.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD01133
Formula: C23H18O6N4
Smiles:
O=C1c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.13 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.42 | Num_heavy_atoms: | 33 |
| TPSA: | 161.91 | NumAromaticRings: | 5 |
