Glycoside
GD129194
Name:
6-({18-carboxy-6-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-19-(methoxymethyl)-10,10,14,21-tetramethyl-15-(3-oxopropyl)hexacyclo[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:
C49H71O11NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C34C=CCC(C)(CC(COC)C3(C(=O)O)CCC21CCC=O)C4Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C34C=CCC(C)(CC(COC)C3(C(=O)O)CCC21CCC=O)C4Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 6.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 850.1 | Num_heavy_atoms: | 61 |
| TPSA: | 195.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD52334
Formula: C43H63O5N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C34C=CCC(C)(CC(COC)C3(C(=O)O)CCC21CCC=O)C4| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 8.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 673.98 | Num_heavy_atoms: | 49 |
| TPSA: | 99.62 | NumAromaticRings: | 1 |
