Glycoside
GD129313
Name:
11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-12-({1-oxo-2-azaspiro[4.4]nonan-4-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:
C44H69O11NSmiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 788.03 | Num_heavy_atoms: | 56 |
| TPSA: | 209.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD52390
Formula: C39H61O7N
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6CN=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 655.92 | Num_heavy_atoms: | 47 |
| TPSA: | 150.81 | NumAromaticRings: | 0 |
