Glycoside
GD143432
Name:
NoneFormula:
C30H36O17N2Smiles:
CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2cc3c(cc2O)N(CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)O)C3)C(O)C(O)C1OAglycone:
COC(=O)CC(C)(O)CC(=O)O.O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 696.62 | Num_heavy_atoms: | 49 |
| TPSA: | 310.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
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 |
