Glycoside
GD121095
Name:
6-{10-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicene-4a-carbonyloxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C42H64O15Smiles:
CC1(C)CCC2(C(=O)OC3OC(C(=O)O)C(O)C(O)C3O)CCC3(C)C(C=CC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD44815
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
