Glycoside
GD153729
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-({2,5,6,10,10,14,19,21-octamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.0²,¹â¹.0âµ,¹â¸.0â¶,¹âµ.0â¹,¹â´]tetracos-17-en-11-yl}oxy)oxane-2-carboxylic acidFormula:
C43H62O16Smiles:
CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1(C)C2Aglycone:
CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1(C)C2Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 834.95 | Num_heavy_atoms: | 59 |
| TPSA: | 256.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD61112
Formula: C31H46O4
Smiles:
CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1(C)C2| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 482.71 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
