Glycoside
GD138577
Name:
8-hydroxy-4-(hydroxymethyl)-2-methoxy-6a,6b,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acidFormula:
C37H58O13Smiles:
COC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)C(O)CC23C)C(CO)(C(=O)O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
COC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)C(O)CC23C)C(CO)(C(=O)O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 710.86 | Num_heavy_atoms: | 50 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD55921
Formula: C31H48O8
Smiles:
COC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)C(O)CC23C)C(CO)(C(=O)O)C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.72 | Num_heavy_atoms: | 39 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
