Glycoside

GD035760
Name:
NoneFormula:
C54H90O13N6Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.8 |
AlogP: | 4.55 | Num_rotatable_bonds: | 16 |
MolWt: | 1031.34 | Num_heavy_atoms: | 73 |
TPSA: | 224.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD22609
Formula: C46H76O10N6
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)C(C)C(O)C1(C)OHBA: | 16 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.76 |
AlogP: | 3.62 | Num_rotatable_bonds: | 13 |
MolWt: | 873.15 | Num_heavy_atoms: | 62 |
TPSA: | 197.26 | NumAromaticRings: | 3 |