Glycoside
...
GD029424

Name:
None

Formula:
C79H76O24N10Cl2

Smiles:
CCCCCCCCOCc1cn([C@@H]2C(=O)N[C@@H]3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5NC(=O)[C@H](NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@H](C(=O)O)NC4=O)nn1

Aglycone:
CCCCCCCCOCc1cn(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)nn1

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

Other Identifiers

Properties
HBA: 34 RingCount: 15
HBD: 17 FractionCSP3: 0.32
AlogP: 6.01 Num_rotatable_bonds: 15
MolWt: 1596.41 Num_heavy_atoms: 113
TPSA: 509.16 NumAromaticRings: 8

Unique Aglycone
AD19141
Formula: C71H63O19N9Cl2

Smiles:
CCCCCCCCOCc1cn(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)nn1
HBA: 28 RingCount: 14
HBD: 14 FractionCSP3: 0.26
AlogP: 8.04 Num_rotatable_bonds: 11
MolWt: 1393.21 Num_heavy_atoms: 99
TPSA: 421.14 NumAromaticRings: 8

Sugarmoiety
SD00014

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