Glycoside
GD151643
Name:
2-[(4-hydroxy-5-methoxy-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-azatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadeca-2(7),3,5,12-tetraen-15-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H39O14NSmiles:
COc1cc2c(cc1O)C1C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C=C3CCN(C2)C31Aglycone:
COc1cc2c(cc1O)C1C(O)C(O)C=C3CCN(C2)C31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.61 | Num_heavy_atoms: | 43 |
| TPSA: | 231.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD59918
Formula: C16H19O4N
Smiles:
COc1cc2c(cc1O)C1C(O)C(O)C=C3CCN(C2)C31| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.33 | Num_heavy_atoms: | 21 |
| TPSA: | 73.16 | NumAromaticRings: | 1 |
