Glycoside
...
GD021698

Name:
None

Formula:
C96H90O23N10Cl2

Smiles:
CCCCc1ccc(CNC2C(Oc3c4cc5cc3Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C5NC(=O)C5NC(=O)C(Cc6ccc(cc6)O4)NC(=O)C(NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(cc(O)c(CN5CCN(Cc6ccc(-c7ccccc7)cc6)CC5)c4O)[C@H](C(=O)O)NC3=O)OC(C(=O)O)C(O)C2O)cc1

Aglycone:
CCCCc1ccc(CN)cc1.CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CN2CCN(Cc4ccc(-c5ccccc5)cc4)CC2)c1O)C(C(=O)O)NC3=O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 18
HBD: 18 FractionCSP3: 0.28
AlogP: 8.94 Num_rotatable_bonds: 16
MolWt: 1798.71 Num_heavy_atoms: 129
TPSA: 487.73 NumAromaticRings: 10

Unique Aglycone
AD01030
Formula: C11H17N

Smiles:
CCCCc1ccc(CN)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 2.49 Num_rotatable_bonds: 4
MolWt: 163.26 Num_heavy_atoms: 12
TPSA: 26.02 NumAromaticRings: 1
AD14787
Formula: C79H67O18N9Cl2

Smiles:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CN2CCN(Cc4ccc(-c5ccccc5)cc4)CC2)c1O)C(C(=O)O)NC3=O
HBA: 27 RingCount: 16
HBD: 15 FractionCSP3: 0.21
AlogP: 8.23 Num_rotatable_bonds: 7
MolWt: 1477.33 Num_heavy_atoms: 106
TPSA: 399.71 NumAromaticRings: 9

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O