Glycoside
GD149242
Name:
6-({18-carboxy-6-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-25-hydroxy-19-(methoxymethyl)-10,10,14,15,21-pentamethylhexacyclo[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:
C47H69O11NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)C(COC)CC3(C)CC=CC21C3OAglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)C(COC)CC3(C)CC=CC21C3OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 824.06 | Num_heavy_atoms: | 59 |
| TPSA: | 199.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD59685
Formula: C41H61O5N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)C(COC)CC3(C)CC=CC21C3O| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 647.94 | Num_heavy_atoms: | 47 |
| TPSA: | 102.78 | NumAromaticRings: | 1 |
