Glycoside
GD130405
Name:
Cistanoside FFormula:
C21H28O13Smiles:
CC1OC(OC(C(O)C=O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)CO)C(O)C(O)C1OAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC(C(O)C=O)C(OO)C(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 223.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
