Glycoside
GD119662
Name:
20-hydroxy-7,18-bis(hydroxymethyl)-7,14,18,22-tetramethyl-21-[(5-oxopyrrolidin-3-yl)methyl]-19-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â·,²²]pentacos-3-ene-10-carboxylic acidFormula:
C42H65O11NSmiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CN=C(O)C2)C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C1CCC45CAglycone:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CN=C(O)C2)C(O)C(O)C(C)(CO)C1CCC45CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 759.98 | Num_heavy_atoms: | 54 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD47985
Formula: C37H57O7N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC34CCCC5(CC=C3C2C1)C1(C)C(CC2CN=C(O)C2)C(O)C(O)C(C)(CO)C1CCC45C| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 5.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 627.86 | Num_heavy_atoms: | 45 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
