Glycoside
...
GD000991

Name:
None

Formula:
C84H80O28N8Cl2

Smiles:
CCCCc1ccc(CNC2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@H](O)C3NC(=O)[C@H](NC(=O)[C@H]5NC(=O)[C@@H]5NC(=O)[C@H](Cc6ccc(cc6)O4)NC(=O)[C@H](NC)c4ccc(O)c(c4)Oc4cc(O)c(Cl)c5c4)c4ccc(O)c(c4)-c4c(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc(O)cc4[C@H](C(=O)O)NC3=O)OC(C(=O)O)C(O)[C@H]2O)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(O)cc(O)cc1C(C(=O)O)NC3=O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 16
HBD: 21 FractionCSP3: 0.32
AlogP: 3.42 Num_rotatable_bonds: 14
MolWt: 1696.48 Num_heavy_atoms: 120
TPSA: 560.4 NumAromaticRings: 8

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
AD01031
Formula: C61H47O18N7Cl2

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(O)cc(O)cc1C(C(=O)O)NC3=O
HBA: 25 RingCount: 13
HBD: 15 FractionCSP3: 0.17
AlogP: 5.25 Num_rotatable_bonds: 2
MolWt: 1212.96 Num_heavy_atoms: 86
TPSA: 393.23 NumAromaticRings: 7

Sugarmoiety
SD00227

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O