Glycoside
GD127447
Name:
6-({18-carboxy-6-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-25-hydroxy-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:
C45H65O10NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)CCC3(C)CC=CC21C3OAglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)CCC3(C)CC=CC21C3OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 780.01 | Num_heavy_atoms: | 56 |
| TPSA: | 189.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD51609
Formula: C39H57O4N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C1(C)CCC1(C(=O)O)CCC3(C)CC=CC21C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 603.89 | Num_heavy_atoms: | 44 |
| TPSA: | 93.55 | NumAromaticRings: | 1 |
