Glycoside
GD130599
Name:
cyanidin 3-[3''-(o-beta-d-glucopyranosyl)-6''-(o-alpha-l-rhamnopyranosyl)+Formula:
C33H43O20Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)OC4C=C(O)C=C(O)C4=C3)C(O)C(OC3OC(C[OH2+])C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(OC3OC(C[OH2+])C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.58 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 759.69 | Num_heavy_atoms: | 53 |
| TPSA: | 330.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD44954
Formula: C15H12O6
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
