Glycoside
GD158399
Name:
6-({18-carboxy-25-hydroxy-6,10,10,14,15,21-hexamethylhexacyclo[19.3.1.0¹,¹â¸.0²,¹âµ.0âµ,¹â´.0â¶,¹¹]pentacosa-2,23-dien-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C38H56O10Smiles:
CC12CC=CC3(C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CCC3(C(=O)O)CC1)C2OAglycone:
CC12CC=CC3(C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC3(C(=O)O)CC1)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 672.86 | Num_heavy_atoms: | 48 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD62532
Formula: C32H48O4
Smiles:
CC12CC=CC3(C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC3(C(=O)O)CC1)C2O| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 496.73 | Num_heavy_atoms: | 36 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
