Glycoside
GD029302
Name:
methyl 10-(acetyloxy)-9-({[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylateFormula:
C40H62O11Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@H](O)C[C@H](OC(C)=O)[C@H](CO[C@@H]6O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]6O)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(OC(C)=O)C(CO)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 158.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD19073
Formula: C32H50O6
Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)CC(OC(C)=O)C(CO)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
