Glycoside
GD139744
Name:
9-(1,2-dihydroxyethyl)-11-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-12-[(5-oxopyrrolidin-3-yl)methyl]-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C41H65O12NSmiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 763.97 | Num_heavy_atoms: | 54 |
| TPSA: | 229.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD56351
Formula: C36H57O8N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C6)C(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1| HBA: | 9 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 631.85 | Num_heavy_atoms: | 45 |
| TPSA: | 171.04 | NumAromaticRings: | 0 |
