Glycoside
GD115545
Name:
10-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl benzoateFormula:
C48H72O15Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1OSugarmoiety:
OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 889.09 | Num_heavy_atoms: | 63 |
| TPSA: | 245.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD45727
Formula: C37H54O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(OC(=O)c3ccccc3)C2(CO)CC1O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 594.83 | Num_heavy_atoms: | 43 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
