Glycoside
GD116904
Name:
methyl 4,5-dihydroxy-6-{[2-hydroxy-4-(hydroxymethyl)-8a-(methoxycarbonyl)-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-icosahydropicen-3-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylateFormula:
C44H70O16Smiles:
COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 855.03 | Num_heavy_atoms: | 60 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD46516
Formula: C31H50O5
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
