Glycoside
...
GD028052

Name:
None

Formula:
C83H80O29N10Cl2

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1c2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C[C@@H]2NC(=O)[C@H](n4cc(COC[C@@H]5O[C@@H]6OC(C)(C)O[C@H]6[C@@H]6OC(C)(C)O[C@@H]56)nn4)c4ccc(O)c(c4)Oc4cc(O)cc(c4)[C@H](NC2=O)C(=O)N[C@H]3C(O)N[C@@H]2C(=O)N[C@H]1C(=O)N[C@H](C(=O)O)c1cc(O)cc(O)c1-c1cc2ccc1O

Aglycone:
CC1(C)OC2OC(COCc3cn(C4C(=O)NC5Cc6ccc(c(Cl)c6)Oc6cc7cc(c6O)Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(O)C7NC(=O)C(NC5=O)c5cc(O)cc(c5)Oc5cc4ccc5O)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)O)NC6=O)nn3)C3OC(C)(C)OC3C2O1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 18
HBD: 18 FractionCSP3: 0.37
AlogP: 3.84 Num_rotatable_bonds: 10
MolWt: 1728.48 Num_heavy_atoms: 122
TPSA: 558.47 NumAromaticRings: 8

Unique Aglycone
AD18365
Formula: C75H67O24N9Cl2

Smiles:
CC1(C)OC2OC(COCc3cn(C4C(=O)NC5Cc6ccc(c(Cl)c6)Oc6cc7cc(c6O)Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(O)C7NC(=O)C(NC5=O)c5cc(O)cc(c5)Oc5cc4ccc5O)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)O)NC6=O)nn3)C3OC(C)(C)OC3C2O1
HBA: 33 RingCount: 17
HBD: 15 FractionCSP3: 0.32
AlogP: 5.87 Num_rotatable_bonds: 6
MolWt: 1525.28 Num_heavy_atoms: 108
TPSA: 470.45 NumAromaticRings: 8

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O