Glycoside
GD153047
Name:
6-{[18-carboxy-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:
C40H60O10Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CCC13C(=O)OAglycone:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CCC13C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 700.91 | Num_heavy_atoms: | 50 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD60895
Formula: C34H52O4
Smiles:
COCC1CC2(C)CC=CC3(C2)C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CCC13C(=O)O| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 7.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 524.79 | Num_heavy_atoms: | 38 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
