Glycoside
GD114408
Name:
4a-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl 2-methylbut-2-enoateFormula:
C45H70O11Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(COC3OC(CO)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 787.04 | Num_heavy_atoms: | 56 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD11733
Formula: C40H62O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.93 | Num_heavy_atoms: | 47 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
