Glycoside
GD126836
Name:
3,4,5-trihydroxy-6-({8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2-methylbut-2-enoyl)oxy]-8a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-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:
C47H74O15Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12COC1OC(C)C(O)C(O)C1OAglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12COSugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 879.09 | Num_heavy_atoms: | 62 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD06963
Formula: C35H56O5
Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.83 | Num_heavy_atoms: | 40 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
