Glycoside

GD036389
Name:
NoneFormula:
C45H38O11N2Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)[C@H](Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)c2C1=OAglycone:
Cc1cc(O)c2c(c1)C1OC(=O)C(Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O)c2C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 9 |
HBD: | 4 | FractionCSP3: | 0.24 |
AlogP: | 5.38 | Num_rotatable_bonds: | 8 |
MolWt: | 782.8 | Num_heavy_atoms: | 58 |
TPSA: | 181.16 | NumAromaticRings: | 5 |
Unique Aglycone
AD22956
Formula: C39H28O8N2
Smiles:
Cc1cc(O)c2c(c1)C1OC(=O)C(Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O)c2C1=OHBA: | 10 | RingCount: | 8 |
HBD: | 3 | FractionCSP3: | 0.13 |
AlogP: | 5.85 | Num_rotatable_bonds: | 6 |
MolWt: | 652.66 | Num_heavy_atoms: | 49 |
TPSA: | 142.47 | NumAromaticRings: | 5 |