Glycoside
GD128677
Name:
6-{[18-carboxy-25-hydroxy-19-(methoxymethyl)-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:
C40H60O11Smiles:
COCC1CC2(C)CC=CC3(C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CCC13C(=O)O)C2OAglycone:
COCC1CC2(C)CC=CC3(C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC13C(=O)O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 716.91 | Num_heavy_atoms: | 51 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD52122
Formula: C34H52O5
Smiles:
COCC1CC2(C)CC=CC3(C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC13C(=O)O)C2O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 540.79 | Num_heavy_atoms: | 39 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
