Glycoside
GD129382
Name:
3-{[5-(acetyloxy)-3,4-dihydroxy-6-(methoxycarbonyl)oxan-2-yl]oxy}-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C38H56O13Smiles:
COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5C(O)C(=O)C34C)C2(C)C(=O)O)C(O)C(O)C1OC(C)=OAglycone:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 720.85 | Num_heavy_atoms: | 51 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD47234
Formula: C29H44O6
Smiles:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
