Glycoside
GD004690
Name:
ANTIAROSIDE IFormula:
C28H42O9Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@H]3[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C4CCC(O)CC4(O)CCC3C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04063
Formula: C22H32O5
Smiles:
CC12CCC3C4CCC(O)CC4(O)CCC3C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
