Glycoside
GD121920
Name:
5-{2,3a-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}-2H-pyran-2-oneFormula:
C30H42O9Smiles:
CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)C(O)CC45O)C3(C)CC2)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 149.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD49103
Formula: C24H32O5
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
