Glycoside
GD137571
Name:
3,4,5-trihydroxy-6-{[8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-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}oxane-2-carboxylic acidFormula:
C36H58O12Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 682.85 | Num_heavy_atoms: | 48 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00548
Formula: C30H50O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 506.72 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
