Glycoside
GD139767
Name:
6-{[14b-formyl-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C42H64O16Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C=O)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C=O)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 270.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD56365
Formula: C30H48O4
Smiles:
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C=O)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
