Glycoside
GD153925
Name:
12-hydroxy-11-methyl-6-methylidene-4,16-dioxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxapentacyclo[9.3.2.1âµ,â¸.0¹,¹â°.0²,â¸]heptadecane-9-carboxylic acidFormula:
C25H32O12Smiles:
C=C1CC23CC1C(=O)CC2C12CC(OC4OC(CO)C(O)C(O)C4O)C(O)C(C)(C(=O)O1)C2C3C(=O)OAglycone:
C=C1CC23CC1C(=O)CC2C12CC(O)C(O)C(C)(C(=O)O1)C2C3C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD56345
Formula: C19H22O7
Smiles:
C=C1CC23CC1C(=O)CC2C12CC(O)C(O)C(C)(C(=O)O1)C2C3C(=O)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
