Glycoside
GD142781
Name:
3,4,5-trihydroxy-6-methyloxan-2-yl 9-({[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-10,12-dihydroxy-2,4a,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-icosahydropicene-2-carboxylateFormula:
C44H70O14Smiles:
CC(=O)OC1C(C)OC(OCC2(C)C(O)CC(O)C3(C)C2CCC2(C)C3CC=C3C4CC(C)(C(=O)OC5OC(C)C(O)C(O)C5O)CCC4(C)CCC32C)C(O)C1OAglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 823.03 | Num_heavy_atoms: | 58 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD51000
Formula: C30H48O5
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
