Glycoside
GD136619
Name:
NoneFormula:
C30H38O17N2Smiles:
CC1OC(OC2C(Oc3cc4c(cc3O)CC(C(=O)O)N4CC=C3C=C(C(=O)O)NC(C(=O)O)C3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -3.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.63 | Num_heavy_atoms: | 49 |
| TPSA: | 305.7 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
