Glycoside
GD154633
Name:
5-(2,12,14-trihydroxy-16-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxapentacyclo[9.7.0.0²,â¸.0âµ,â·.0¹²,¹â¶]octadecan-15-yl)-2H-pyran-2-oneFormula:
C29H40O12Smiles:
CC12CCC3C(CCC4(OC5OC(CO)C(O)C(O)C5O)C5OC5CCC34O)C1(O)CC(O)C2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)C5OC5CCC34O)C1(O)CC(O)C2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 580.63 | Num_heavy_atoms: | 41 |
| TPSA: | 202.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD61396
Formula: C23H30O7
Smiles:
CC12CCC3C(CCC4(O)C5OC5CCC34O)C1(O)CC(O)C2c1ccc(=O)oc1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.49 | Num_heavy_atoms: | 30 |
| TPSA: | 123.66 | NumAromaticRings: | 1 |
