Glycoside
...
GD000958

Name:
None

Formula:
C82H82O24N10Cl2

Smiles:
CCCCCCCCCCOCc1cn([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)OC)NC4=O)nn1

Aglycone:
CCCCCCCCCCOCc1cn(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)OC)NC4=O)nn1

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

Other Identifiers

Properties
HBA: 34 RingCount: 15
HBD: 16 FractionCSP3: 0.35
AlogP: 6.88 Num_rotatable_bonds: 17
MolWt: 1638.49 Num_heavy_atoms: 116
TPSA: 498.16 NumAromaticRings: 8

Unique Aglycone
AD01000
Formula: C74H69O19N9Cl2

Smiles:
CCCCCCCCCCOCc1cn(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)OC)NC4=O)nn1
HBA: 28 RingCount: 14
HBD: 13 FractionCSP3: 0.29
AlogP: 8.91 Num_rotatable_bonds: 13
MolWt: 1435.29 Num_heavy_atoms: 102
TPSA: 410.14 NumAromaticRings: 8

Sugarmoiety
SD00014

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