Glycoside
GD136529
Name:
6-{[18-carboxy-6,10,10,14,21-pentamethyl-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:
C40H58O10Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C1(CCC=O)CCC3(C(=O)O)CC2Aglycone:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(CCC=O)CCC3(C(=O)O)CC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 698.89 | Num_heavy_atoms: | 50 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD55194
Formula: C34H50O4
Smiles:
CC12CC=CC3(C1)C1=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(CCC=O)CCC3(C(=O)O)CC2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 7.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 522.77 | Num_heavy_atoms: | 38 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
