Glycoside
GD144931
Name:
10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,12b,13,14b-hexadecahydropicene-4a-carboxylic acidFormula:
C42H64O13Smiles:
CC1=C(C)C2C3=CCC4C5(C)C=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1Aglycone:
CC1=C(C)C2C3=CCC4C5(C)C=CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD58205
Formula: C30H44O3
Smiles:
CC1=C(C)C2C3=CCC4C5(C)C=CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 452.68 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
