Glycoside
GD026052
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H44O8Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3C[C@H](O)[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.66 | Num_heavy_atoms: | 37 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD02796
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
