Glycoside
GD111748
Name:
6-{3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-methylhept-2-enoic acidFormula:
C35H58O9Smiles:
C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C)C(=O)OAglycone:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD44737
Formula: C30H50O5
Smiles:
CC(=CCCC(C)C1CC(O)C2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CC(O)C12C)C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
