Glycoside
GD032690
Name:
2-{[1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-5,7-dihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-11-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O10Smiles:
CC(C)(O)C=CC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O)C[C@]12CAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.88 | Num_heavy_atoms: | 46 |
| TPSA: | 180.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD20928
Formula: C30H52O5
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
