Glycoside
GD142658
Name:
4-{3a-hydroxy-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:
C29H42O8Smiles:
CC1OC(OC2C=C3CCC4C(CCC5(C)C(C6=CC(=O)OC6)CCC45O)C3(C)CC2)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.65 | Num_heavy_atoms: | 37 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46356
Formula: C23H32O4
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
