Glycoside
GD150670
Name:
2-[(2-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3a,6,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-3,5-dihydroxyoxan-4-yl acetateFormula:
C45H72O14Smiles:
CC(=O)OC1C(O)COC(OC2CCC3C(=CC(O)C4C3(C)CCC3(C)C(C(C)CCC=C(C)C)C(OC5OC(CO)C(O)C(O)C5OC(C)=O)CC43C)C2(C)C)C1OAglycone:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
CC(=O)OC1C(O)COC(O)C1O.CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 11 |
| MolWt: | 837.06 | Num_heavy_atoms: | 59 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47019
Formula: C30H50O3
Smiles:
CC(C)=CCCC(C)C1C(O)CC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
