Glycoside
GD130572
Name:
10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acidFormula:
C42H66O13Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(C)(C)C2CCC13CAglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD22808
Formula: C30H46O3
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
