Glycoside
GD141879
Name:
1-O-(3-O-Beta-D-Glucopyranosylbutyryl)PancratistatinFormula:
C24H31O15NSmiles:
CC(CC(=O)OC1C(O)C(O)C(O)C2N=C(O)c3c(cc4c(c3O)OCO4)C21)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CC(=O)OC1C(O)C(O)C(O)C2N=C(O)c3c(cc4c(c3O)OCO4)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 573.5 | Num_heavy_atoms: | 40 |
| TPSA: | 257.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD57122
Formula: C18H21O10N
Smiles:
CC(O)CC(=O)OC1C(O)C(O)C(O)C2N=C(O)c3c(cc4c(c3O)OCO4)C21| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.36 | Num_heavy_atoms: | 29 |
| TPSA: | 178.5 | NumAromaticRings: | 1 |
