Glycoside
GD138024
Name:
20-hydroxy-7,22-bis(hydroxymethyl)-7,22,26,27-tetramethyl-18-(5-oxopyrrolidin-3-yl)-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptacyclo[17.7.1.0¹,¹â¶.0â´,¹³.0âµ,¹â°.0¹³,²â¶.0²³,²â·]heptacosa-3,16-diene-10-carboxylic acidFormula:
C43H63O11NSmiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CN=C(O)C6)C6C(O)C(OC7OCC(O)C(O)C7O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CN=C(O)C6)C6C(O)C(O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 769.97 | Num_heavy_atoms: | 55 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD55735
Formula: C38H55O7N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCC5=CC(C6CN=C(O)C6)C6C(O)C(O)C(C)(CO)C7CCC3(C)C5(CC=C4C2C1)C67C| HBA: | 8 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 637.86 | Num_heavy_atoms: | 46 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
