Glycoside
GD149640
Name:
6-[(11-carboxy-10-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-yl)oxy]-5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C42H62O16Smiles:
CC12CCC3(C)C(=CC=C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2Aglycone:
CC12CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2Sugarmoiety:
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: | 0.83 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 822.94 | Num_heavy_atoms: | 58 |
| TPSA: | 270.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD59819
Formula: C30H46O4
Smiles:
CC12CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C(=O)O)C(O)C2| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
