Glycoside
GD147457
Name:
2-[(1-{1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.0²,â¶]undecan-5-yl}-2-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H52O12Smiles:
CC1COC2(C)OC3C(C4C(O)CC5C6=CCC7CC(OC8OC(CO)C(O)C(O)C8O)CCC7(C)C6=CCC54C)C(O)OC3C12OAglycone:
CC1COC2(C)OC3C(C4C(O)CC5C6=CCC7CC(O)CCC7(C)C6=CCC54C)C(O)OC3C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD59053
Formula: C29H42O7
Smiles:
CC1COC2(C)OC3C(C4C(O)CC5C6=CCC7CC(O)CCC7(C)C6=CCC54C)C(O)OC3C12O| HBA: | 7 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 502.65 | Num_heavy_atoms: | 36 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
