Glycoside
...
GD034862

Name:
None

Formula:
C64H86O24N2

Smiles:
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)c2ccccc21

Aglycone:
C=CCn1cc(CC(NC(=O)C(OC)C2Cc3cc4cc(O)c(C)c(O)c4c(O)c3C(=O)C2O)C(=O)OC)c2ccccc21

Sugarmoiety:
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

Other 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)c2ccccc21
HBA: 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