Glycoside
GD133270
Name:
2-{6,11-diazatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-1(16),3,9,12,14-pentaen-4-yloxy}-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C26H34O11N2Smiles:
OCC1OC(CO)(OCC2(OC3=CC4c5cccc6[nH]cc(c56)CC4NC3)OC(CO)C(O)C2O)C(O)C1OAglycone:
OC1=CC2c3cccc4[nH]cc(c34)CC2NC1Sugarmoiety:
OCC1OC(O)(COC2(CO)OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 206.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD53823
Formula: C14H14ON2
Smiles:
OC1=CC2c3cccc4[nH]cc(c34)CC2NC1| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 226.28 | Num_heavy_atoms: | 17 |
| TPSA: | 48.05 | NumAromaticRings: | 2 |
