Glycoside
GD119466
Name:
Kaempferol 3-(2'''-(E)-Caffeoylglucosyl)-(1->2)-Glucoside-7-CellobiosideFormula:
C48H56O29Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 8 |
| HBD: | 17 | FractionCSP3: | 0.5 |
| AlogP: | -5.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 1096.95 | Num_heavy_atoms: | 77 |
| TPSA: | 474.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
