Glycoside
GD015266
Name:
2,9-dihydroxy-6,11-dimethyl-16-methylidene-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[13.2.1.0¹,¹².0³,¹¹.0â¶,¹â°]octadecan-7-oneFormula:
C26H38O10Smiles:
C=C1[C@H](OC2OC(CO)C(O)C(O)C2O)[C@]23C[C@H]1CCC2[C@]1(C)C(CC[C@]2(C)C(=O)O[C@H](O)[C@H]21)[C@H]3OAglycone:
C=C1C2CCC3C4(C)C(CCC5(C)C(=O)OC(O)C54)C(O)C3(C2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 510.58 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD11115
Formula: C20H28O5
Smiles:
C=C1C2CCC3C4(C)C(CCC5(C)C(=O)OC(O)C54)C(O)C3(C2)C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
