Glycoside
...
GD003062

Name:
None

Formula:
C72H67O23N9Cl2

Smiles:
N[C@@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)NCCCCCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O)NC3=O

Aglycone:
NC(=O)CCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 14
HBD: 21 FractionCSP3: 0.29
AlogP: 2.49 Num_rotatable_bonds: 9
MolWt: 1473.25 Num_heavy_atoms: 104
TPSA: 518.27 NumAromaticRings: 7

Unique Aglycone
AD02824
Formula: C66H57O18N9Cl2

Smiles:
NC(=O)CCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
HBA: 27 RingCount: 13
HBD: 18 FractionCSP3: 0.22
AlogP: 5.06 Num_rotatable_bonds: 7
MolWt: 1311.11 Num_heavy_atoms: 93
TPSA: 442.11 NumAromaticRings: 7

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O