Glycoside
GD012982
Name:
4-((1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-Dihydroxy-10,13-Dimethyl-3-((2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydro-2H-Pyran-2-Yloxy)-Hexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Furan-2(5H)-OneFormula:
C29H44O9Smiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@H](O)[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12C(O)CC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.66 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD09747
Formula: C23H34O5
Smiles:
CC12C(O)CC(O)CC1CCC1C2CCC2(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 |
