Glycoside
GD129398
Name:
methyl 6-[(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]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylateFormula:
C43H68O14Smiles:
COC(=O)C1OC(OC2CC(O)C3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)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:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 225.06 | 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 |
