Glycoside
GD116972
Name:
6-({8a-carboxy-14b-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-9-formyl-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:
C44H65O10NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(C=O)C3(C(=O)O)CCC21CAglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(C=O)C3(C(=O)O)CCC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 6.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 768.0 | Num_heavy_atoms: | 55 |
| TPSA: | 186.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD46560
Formula: C38H57O4N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(C=O)C3(C(=O)O)CCC21C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 8.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 591.88 | Num_heavy_atoms: | 43 |
| TPSA: | 90.39 | NumAromaticRings: | 1 |
