Glycoside
GD137817
Name:
NodosinFormula:
C27H30O15Smiles:
CC1OC(OC2C(c3c(O)cc4occ(-c5ccc(O)cc5O)c(=O)c4c3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 260.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD15509
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
