Glycoside
...
GD016996

Name:
None

Formula:
C83H80O23N10Cl2

Smiles:
CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(cc7)Oc7cc5cc(c7OC5OC(C(=O)O)C(O)C(O)C5N)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)N[C@H]4C(=O)O)NC(=O)C(NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1

Aglycone:
CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(cc7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)NC4C(=O)O)NC(=O)C(NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1

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

Other Identifiers

Properties
HBA: 33 RingCount: 16
HBD: 19 FractionCSP3: 0.31
AlogP: 5.44 Num_rotatable_bonds: 12
MolWt: 1632.48 Num_heavy_atoms: 116
TPSA: 501.72 NumAromaticRings: 8

Unique Aglycone
AD12177
Formula: C77H71O18N9Cl2

Smiles:
CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(cc7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)NC4C(=O)O)NC(=O)C(NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1
HBA: 27 RingCount: 15
HBD: 15 FractionCSP3: 0.27
AlogP: 7.91 Num_rotatable_bonds: 9
MolWt: 1457.34 Num_heavy_atoms: 104
TPSA: 399.71 NumAromaticRings: 8

Sugarmoiety
SD01872

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