Glycoside
GD158142
Name:
5-hydroxy-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C41H64O15Smiles:
CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5C(O)CC43C)C2C1Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD62444
Formula: C30H46O6
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5C(O)CC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
