Glycoside
GD116584
Name:
6-{[8a-carboxy-12-hydroxy-9-(methoxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C38H60O11Smiles:
COCC1CC(C)(C)C(O)C2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC12C(=O)OAglycone:
COCC1CC(C)(C)C(O)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 692.89 | Num_heavy_atoms: | 49 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD46324
Formula: C32H52O5
Smiles:
COCC1CC(C)(C)C(O)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC12C(=O)O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
