Glycoside
GD000660
Name:
4-[3a,5a,11-trihydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C29H44O11Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00712
Formula: C23H34O7
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
