Glycoside
GD127526
Name:
Clostrubin BFormula:
C31H28O11Smiles:
COCC(O)C(O)C(O)C(O)=c1c(C)cc2c(c(O)c3c(=O)cc(C)c4c5ccc(=C(C)O)c(=O)c5c(O)c2c34)c1=OAglycone:
CC1=Cc2c(c(O)c3c(=O)cc(C)c4c5ccc(=C(C)O)c(=O)c5c(O)c2c34)C(=O)[CH]1Sugarmoiety:
COCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 576.55 | Num_heavy_atoms: | 42 |
| TPSA: | 202.05 | NumAromaticRings: | 5 |
Unique Aglycone
AD51641
Formula: C25H17O6
Smiles:
CC1=Cc2c(c(O)c3c(=O)cc(C)c4c5ccc(=C(C)O)c(=O)c5c(O)c2c34)C(=O)[CH]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.41 | Num_heavy_atoms: | 31 |
| TPSA: | 111.9 | NumAromaticRings: | 4 |
