Glycoside
GD118396
Name:
2-({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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C42H68O12Smiles:
CC1OC(OC2C(OC3CC(O)C4(C)C(CCC5(C)C4C=CC4=C6CC(C)(C)CC(O)C6(C)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| 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 |
