Glycoside
GD128085
Name:
3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acidFormula:
C43H68O14Smiles:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 243.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46538
Formula: C37H60O8
Smiles:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
