Glycoside
GD155811
Name:
3,4,5-trihydroxyoxan-2-yl 2,3,5-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylateFormula:
C35H56O10Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6OCC(O)C(O)C6O)C5C(O)CC43C)C2C1Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 636.82 | Num_heavy_atoms: | 45 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD61761
Formula: C30H48O6
Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
