Glycoside
GD118623
Name:
NoneFormula:
C45H45O12N3Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 819.86 | Num_heavy_atoms: | 60 |
| TPSA: | 242.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD47447
Formula: C39H35O6N3
Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)O| HBA: | 9 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 641.72 | Num_heavy_atoms: | 48 |
| TPSA: | 143.02 | NumAromaticRings: | 3 |
