Glycoside
GD157648
Name:
5-hydroxy-7-methyl-6-(2-{12-phenyltricyclo[7.3.1.0²,â·]trideca-2,4,6-trien-8-yl}acetyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C39H40O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1CCC2c1ccccc1Aglycone:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1CCC2c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 668.74 | Num_heavy_atoms: | 49 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD62310
Formula: C33H30O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1CCC2c1ccccc1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 7.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 506.6 | Num_heavy_atoms: | 38 |
| TPSA: | 94.83 | NumAromaticRings: | 4 |
