Glycoside
GD139546
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-[16-hydroxy-7,11-dimethyl-6-(2-oxo-2H-pyran-5-yl)-3-oxapentacyclo[8.8.0.0²,â´.0²,â·.0¹¹,¹â¶]octadecane-14-carbonyloxy]heptanoateFormula:
C38H54O13Smiles:
CC12CCC(C(=O)OCCCCCCC(=O)OC3OC(CO)C(O)C(O)C3O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)CC3OC312Aglycone:
CC12CCC(C(=O)OCCCCCCC(=O)O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)CC3OC312Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.84 | Num_heavy_atoms: | 51 |
| TPSA: | 205.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD56273
Formula: C32H44O8
Smiles:
CC12CCC(C(=O)OCCCCCCC(=O)O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)CC3OC312| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.7 | Num_heavy_atoms: | 40 |
| TPSA: | 126.57 | NumAromaticRings: | 1 |
