Glycoside
GD144414
Name:
methyl 6-{[8a-(methoxycarbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-tris(acetyloxy)oxane-2-carboxylateFormula:
C44H66O12Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC)CCC34C)C2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.84 |
| AlogP: | 7.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 787.0 | Num_heavy_atoms: | 56 |
| TPSA: | 149.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD03137
Formula: C31H50O3
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
