Glycoside
GD121698
Name:
3,4,5-trihydroxyoxan-2-yl 1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C34H54O10Smiles:
CC1CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)C(O)CC43C)C2C1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)C(O)CC43C)C2C1(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 622.8 | Num_heavy_atoms: | 44 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49001
Formula: C29H46O6
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C3CCC3C(C)(CO)C(O)C(O)CC43C)C2C1(C)O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.68 | Num_heavy_atoms: | 35 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
