Glycoside
GD128762
Name:
5-hydroxy-7-methyl-6-(2-{12-phenyltricyclo[7.3.1.0²,â·]trideca-2,4,6,10-tetraen-8-yl}acetyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acidFormula:
C39H38O10Smiles:
Cc1cc2cc(C(=O)O)cc(OC3OC(CO)C(O)C(O)C3O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1C=CC2c1ccccc1Aglycone:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1C=CC2c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.72 | Num_heavy_atoms: | 49 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD52158
Formula: C33H28O5
Smiles:
Cc1cc2cc(C(=O)O)cc(O)c2c(O)c1C(=O)CC1c2ccccc2C2CC1C=CC2c1ccccc1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 7.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.58 | Num_heavy_atoms: | 38 |
| TPSA: | 94.83 | NumAromaticRings: | 4 |
