Glycoside
GD153589
Name:
2-[(1-{1-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]ethyl}-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-4,6-dimethyl-3,6-dihydro-2H-pyran-3-oneFormula:
C34H52O8Smiles:
CC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC(O)C(O)C(C)O3)C2)C1=OAglycone:
CC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.78 | Num_heavy_atoms: | 42 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61066
Formula: C28H42O5
Smiles:
CC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.64 | Num_heavy_atoms: | 33 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
