Glycoside
GD120181
Name:
4,5-dihydroxy-2-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C49H74O17Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC(=O)c6cc(O)c(O)c(O)c6)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.82 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 935.11 | Num_heavy_atoms: | 66 |
| TPSA: | 285.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD07473
Formula: C30H50O3
Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
