Glycoside
GD117697
Name:
2-({2-[(4,5-dihydroxy-6-{[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}-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)oxane-3,4,5-triolFormula:
C46H76O16Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.1 | Num_heavy_atoms: | 62 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
