Glycoside
...
GD036446

Name:
None

Formula:
C74H64O25N8Cl2S

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](NS(=O)(=O)c4ccccc4)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:
O=C1NC2C(=O)NC3c4cc(c(O)c(c4)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC3O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC4=O)Oc3ccc(cc3Cl)CC1NC(=O)C(NS(=O)(=O)c1ccccc1)c1ccc(O)c(c1)Oc1cc(O)cc2c1

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

Other Identifiers

Properties
HBA: 33 RingCount: 15
HBD: 19 FractionCSP3: 0.24
AlogP: 3.76 Num_rotatable_bonds: 8
MolWt: 1544.31 Num_heavy_atoms: 108
TPSA: 518.55 NumAromaticRings: 8

Unique Aglycone
AD22980
Formula: C66H51O20N7Cl2S

Smiles:
O=C1NC2C(=O)NC3c4cc(c(O)c(c4)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC3O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC4=O)Oc3ccc(cc3Cl)CC1NC(=O)C(NS(=O)(=O)c1ccccc1)c1ccc(O)c(c1)Oc1cc(O)cc2c1
HBA: 27 RingCount: 14
HBD: 16 FractionCSP3: 0.16
AlogP: 5.8 Num_rotatable_bonds: 4
MolWt: 1341.11 Num_heavy_atoms: 94
TPSA: 430.53 NumAromaticRings: 8

Sugarmoiety
SD00014

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