Glycoside
GD009053
Name:
NoneFormula:
C28H42O9Smiles:
C[C@@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@H]2CC[C@@H]2[C@H](C3=CC(=O)OC3)CC[C@]21OAglycone:
CC12CCC(O)CC1CCC1C2CCC2C(C3=CC(=O)OC3)CCC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD07145
Formula: C22H32O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2C(C3=CC(=O)OC3)CCC21O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
