Glycoside
GD157225
Name:
5-{7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,11-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2H-pyran-2-oneFormula:
C36H52O14Smiles:
CC1OC(OC2C=C3CCC4C(CC(O)C5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)C=C1CCC1C2CC(O)C2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 708.8 | Num_heavy_atoms: | 50 |
| TPSA: | 228.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45937
Formula: C24H32O5
Smiles:
CC12CCC(O)C=C1CCC1C2CC(O)C2(C)C(c3ccc(=O)oc3)CCC12O| 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 |
