Glycoside
GD129750
Name:
3-hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,13,14,14a,14b-icosahydropicene-4-carboxylic acidFormula:
C36H58O10Smiles:
CC12CCC3(C)C(=C1CC(C)(CO)C(OC1OC(CO)C(O)C(O)C1O)C2)CCC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13CAglycone:
CC12CCC3(C)C(=C1CC(C)(CO)C(O)C2)CCC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD52567
Formula: C30H48O5
Smiles:
CC12CCC3(C)C(=C1CC(C)(CO)C(O)C2)CCC1C2(C)CCC(O)C(C)(C(=O)O)C2CCC13C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
