Glycoside
GD137617
Name:
3'-O-Trans-CinnamoylastilbinFormula:
C30H28O12Smiles:
CC1OC(OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccccc2)C1OAglycone:
O=C(O)C=Cc1ccccc1.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.54 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD01473
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
