Glycoside
GD121980
Name:
2-[(2-{[4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H68O12Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)CCC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13CSugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 764.99 | Num_heavy_atoms: | 54 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD47472
Formula: C30H48O3
Smiles:
CC1(C)CCC2(CO)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
