Glycoside
GD138233
Name:
6-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C41H62O14Smiles:
CC1(C(=O)O)C=C2C3CCC4C5(C=O)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1Aglycone:
CC1(C(=O)O)C=C2C3CCC4C5(C=O)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD55817
Formula: C30H46O4
Smiles:
CC1(C(=O)O)C=C2C3CCC4C5(C=O)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
