Glycoside
GD036814
Name:
Termisoflavone CFormula:
C29H34O12Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[C@H]5O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]5O)cc4)coc3c2)[C@@H]1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
