Glycoside
GD034418
Name:
IcariinFormula:
C33H40O15Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.67 | Num_heavy_atoms: | 48 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD10075
Formula: C21H20O6
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
