Glycoside
GD016134
Name:
NoneFormula:
C28H43O7NSmiles:
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@]2(C)[C@H](C=CC#N)CC[C@]12OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C=CC#N)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 505.65 | Num_heavy_atoms: | 36 |
| TPSA: | 143.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD11653
Formula: C22H33O2N
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C=CC#N)CCC12O| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 343.51 | Num_heavy_atoms: | 25 |
| TPSA: | 64.25 | NumAromaticRings: | 0 |
