Glycoside
GD136894
Name:
4,8a-dimethyl 2,8-dihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylateFormula:
C38H60O13Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(OC5OC(CO)C(O)C(O)C5O)C(CO)(C(=O)OC)C4CCC3(C)C1(C)CC2OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(CO)(C(=O)OC)C4CCC3(C)C1(C)CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.88 | Num_heavy_atoms: | 51 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD55327
Formula: C32H50O8
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(CO)(C(=O)OC)C4CCC3(C)C1(C)CC2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 562.74 | Num_heavy_atoms: | 40 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
