Glycoside
GD153570
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(10,12,13-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)methoxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O14Smiles:
CC1(C)CCC2(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(CO)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 799.01 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD59804
Formula: C30H50O4
Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=CC(O)C4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
