Glycoside
GD146108
Name:
SophorabiosideFormula:
C27H30O14Smiles:
CC1OC(OC2C(Oc3ccc(-c4coc5cc(O)cc(O)c5c4=O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
