Glycoside
GD023461
Name:
4-[3a,5a,7-trihydroxy-11a-methyl-9a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O11Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD07682
Formula: C23H34O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
