Glycoside
GD012399
Name:
RhoifolinFormula:
C27H30O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2C(O)[C@H](O)[C@H](CO)O[C@H]2Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(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
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(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 |
