Glycoside
GD117450
Name:
2-({2-[(1-{1,4-dihydroxy-8,11-dimethyl-3,7,9-trioxatricyclo[6.3.0.0²,â¶]undecan-5-yl}-9a,11a-dimethyl-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)oxane-3,4,5-triolFormula:
C40H60O15Smiles:
CC1COC2(C)OC3C(C4CC=C5C6=C(CCC54C)C4(C)CCC(OC5OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C5O)CC4CC6)C(O)OC3C12OAglycone:
CC1COC2(C)OC3C(C4CC=C5C6=C(CCC54C)C4(C)CCC(O)CC4CC6)C(O)OC3C12OSugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.91 | Num_heavy_atoms: | 55 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46827
Formula: C29H42O6
Smiles:
CC1COC2(C)OC3C(C4CC=C5C6=C(CCC54C)C4(C)CCC(O)CC4CC6)C(O)OC3C12O| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
