Glycoside
GD137654
Name:
vincanin aFormula:
C33H43O20Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc([OH2+])cc4OC4OC(C)C(O)C(O)C4O)OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.58 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 759.69 | Num_heavy_atoms: | 53 |
| TPSA: | 330.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD45257
Formula: C15H13O7
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 2 |
