Glycoside
GD019790
Name:
"(2S_5S_8R_9R_10R)-2-(O-B-D-Glucopyranosyl)Neocleroda-3_13-Diene-14_15;18_19-Diolide"Formula:
C26H36O10Smiles:
C[C@@H]1CC[C@@]23COC(=O)C2=C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]3[C@@]1(C)CCC1=CCOC1=OAglycone:
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CCOC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD13770
Formula: C20H26O5
Smiles:
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CCOC1=O| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
