Glycoside
...
GD028278

Name:
None

Formula:
C74H70O23N10Cl2

Smiles:
CC(=O)NC1C(O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C[C@@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@@H]3C(=O)N[C@H]2C(=O)N[C@H](C(=O)NCCN2CCOCC2)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(CO)C(O)C1O

Aglycone:
NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCN1CCOCC1)NC3=O

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

Other Identifiers

Properties
HBA: 33 RingCount: 15
HBD: 19 FractionCSP3: 0.31
AlogP: 2.32 Num_rotatable_bonds: 8
MolWt: 1514.31 Num_heavy_atoms: 107
TPSA: 499.51 NumAromaticRings: 7

Unique Aglycone
AD06195
Formula: C66H57O18N9Cl2

Smiles:
NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCN1CCOCC1)NC3=O
HBA: 27 RingCount: 14
HBD: 16 FractionCSP3: 0.23
AlogP: 4.35 Num_rotatable_bonds: 4
MolWt: 1311.11 Num_heavy_atoms: 93
TPSA: 411.49 NumAromaticRings: 7

Sugarmoiety
SD00014

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