Glycoside
GD117911
Name:
2-[(1,9-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C41H66O12Smiles:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Aglycone:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD47082
Formula: C30H48O3
Smiles:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
