Glycoside
GD034936
Name:
NoneFormula:
C38H48O14Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H](C(=O)C[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C(c3ccc(=O)oc3)CCC12O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 728.79 | Num_heavy_atoms: | 52 |
| TPSA: | 191.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22146
Formula: C24H30O5
Smiles:
CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
