Glycoside
GD122731
Name:
NoneFormula:
C38H41O18Smiles:
CC(=[OH+])OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(COC(O)C=Cc4ccc(O)cc4)C(O)C(O)C2O)C(=C2C=CC(=O)C=C2)O3)C(O)C(O)C1OAglycone:
COC(C)=[OH+].COC(O)C=Cc1ccc(O)cc1.O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 785.73 | Num_heavy_atoms: | 56 |
| TPSA: | 285.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD45808
Formula: C3H7O2
Smiles:
COC(C)=[OH+]| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.09 | Num_heavy_atoms: | 5 |
| TPSA: | 30.63 | NumAromaticRings: | 0 |
AD49485
Formula: C10H12O3
Smiles:
COC(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD49486
Formula: C15H10O5
Smiles:
O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
