Glycoside
GD136501
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-hydroxy-2,2,6b,9,9,12a-hexamethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-carboxylateFormula:
C41H66O14Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)CC34C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)CC34C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD55182
Formula: C29H46O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)CC34C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
