Glycoside
GD125572
Name:
Rubupungenoside BFormula:
C73H112O24Smiles:
COC1C(O)C(CO)OC(OC(=O)C23CCC(C)C(C)(O)C2C2=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)OC%10OC(CO)C(O)C(O)C%10O)(CCC(C)C9(C)O)CCC78C)C6(CO)C(=O)O)C5CCC4(C)C2(C)CC3)C1OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)O)(CCC(C)C9(C)O)CCC78C)C6(CO)C(=O)O)C5CCC43C)C2C1(C)OSugarmoiety:
COC1C(O)C(O)OC(CO)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 12 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 1373.67 | Num_heavy_atoms: | 97 |
| TPSA: | 406.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD50787
Formula: C60H90O14
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6C(O)CC7(C)C(CCC8(C)C7CC=C7C9C(C(=O)O)(CCC(C)C9(C)O)CCC78C)C6(CO)C(=O)O)C5CCC43C)C2C1(C)O| HBA: | 14 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 7.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 1035.37 | Num_heavy_atoms: | 74 |
| TPSA: | 259.58 | NumAromaticRings: | 0 |
