Glycoside
GD120063
Name:
3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl 1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C37H60O10Smiles:
COCC1OC(OC(=O)C23CCC(C)C(C)(O)C2C2=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(O)C1OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05629
Formula: C30H48O5
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
