Glycoside
GD150650
Name:
NoneFormula:
C40H44O22N2Smiles:
O=C(O)CC1OC(OC2C(Oc3cc4c(cc3O)N(CC=C3C=C(C(=O)O)NC(C(=O)O)C3)C(C(=O)O)C4)OC(CO)C(O)C2O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1OAglycone:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.42 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 15 |
| MolWt: | 904.78 | Num_heavy_atoms: | 64 |
| TPSA: | 389.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD46344
Formula: C18H18O8N2
Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.35 | Num_heavy_atoms: | 28 |
| TPSA: | 167.63 | NumAromaticRings: | 1 |
