Glycoside
GD125410
Name:
Isoorientin 4'-O-Glucoside-2''-(4-Glucosyloxy-2,5-Dihydroxycinnamante)Formula:
C42H46O25Smiles:
O=C(C=Cc1cc(O)c(OC2OC(CO)C(O)C(O)C2O)cc1O)OC1C(c2c(O)cc3oc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)c(O)c4)cc(=O)c3c2O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1cc(O)c(O)cc1O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.43 |
| AlogP: | -3.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 950.81 | Num_heavy_atoms: | 67 |
| TPSA: | 426.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)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 |
AD50720
Formula: C9H8O5
Smiles:
O=C(O)C=Cc1cc(O)c(O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.16 | Num_heavy_atoms: | 14 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
