Glycoside
GD125107
Name:
6-({8a-carboxy-14b-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-4,4,6a,6b,11,11-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)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C43H65O9NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CAglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 6.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 739.99 | Num_heavy_atoms: | 53 |
| TPSA: | 169.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD50593
Formula: C37H57O3N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 8.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 563.87 | Num_heavy_atoms: | 41 |
| TPSA: | 73.32 | NumAromaticRings: | 1 |
