Glycoside
GD147594
Name:
delphinidin 3-(3''-p-coumaroylglucoside)Formula:
C30H29O14Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(O)C(C[OH2+])OC(OC2=Cc3c(O)cc(O)cc3OC2c2cc(O)c(O)c(O)c2)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.23 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.55 | Num_heavy_atoms: | 44 |
| TPSA: | 238.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
