Glycoside
GD143195
Name:
Isovitexin 2''-O-(6'''-(E)-P-Coumaroyl)Glucoside-4'-O-GlucosideFormula:
C42H46O22Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2C(c3c(O)cc4oc(-c5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)cc(=O)c4c3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.43 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 902.81 | Num_heavy_atoms: | 64 |
| TPSA: | 365.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
