Glycoside
GD132284
Name:
4-{3a,10-dihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H42O9Smiles:
CC1OC(OC2C=C3CCC4C(C(O)CC5(C)C(C6=CC(=O)OC6)CCC45O)C3(C)CC2)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53550
Formula: C23H32O5
Smiles:
CC12CCC(O)C=C1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
