Glycoside

GD034862
Name:
NoneFormula:
C64H86O24N2Smiles:
C=CCn1cc(C[C@H](NC(=O)[C@H](OC)[C@@H]2Cc3cc4cc(O[C@@H]5C[C@H](O[C@@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@H](O)[C@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@H]2O[C@@H]2C[C@H](O[C@@H]3C[C@H](O[C@@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@H](O)[C@H](C)O3)[C@H](O)[C@H](C)O2)C(=O)OC)c2ccccc21Aglycone:
C=CCn1cc(CC(NC(=O)C(OC)C2Cc3cc4cc(O)c(C)c(O)c4c(O)c3C(=O)C2O)C(=O)OC)c2ccccc21Sugarmoiety:
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 10 |
HBD: | 10 | FractionCSP3: | 0.64 |
AlogP: | 2.48 | Num_rotatable_bonds: | 19 |
MolWt: | 1267.38 | Num_heavy_atoms: | 90 |
TPSA: | 361.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD22108
Formula: C33H34O9N2
Smiles:
C=CCn1cc(CC(NC(=O)C(OC)C2Cc3cc4cc(O)c(C)c(O)c4c(O)c3C(=O)C2O)C(=O)OC)c2ccccc21HBA: | 11 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.3 |
AlogP: | 3.04 | Num_rotatable_bonds: | 9 |
MolWt: | 602.64 | Num_heavy_atoms: | 44 |
TPSA: | 167.55 | NumAromaticRings: | 4 |
Sugarmoiety

SD01116
CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O