Glycoside
GD133445
Name:
(16Alpha,20R,24R)-24N,25-Carbamoyloxy-2,16,20-Trihydroxycucurbita-1,5-Diene-3,11,22-Trione 2-O-Beta-D-GlucopyranosideFormula:
C37H53O13NSmiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC3N=C(O)OC3(C)C)C(O)CC12CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC3N=C(O)OC3(C)C)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 719.83 | Num_heavy_atoms: | 51 |
| TPSA: | 232.87 | NumAromaticRings: | 0 |
Unique Aglycone
AD54010
Formula: C31H43O8N
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC3N=C(O)OC3(C)C)C(O)CC12C| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 557.68 | Num_heavy_atoms: | 40 |
| TPSA: | 153.72 | NumAromaticRings: | 0 |
