Glycoside
...
GD132566

Name:
31-hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,28-hexamethyl-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6,9,12,15,28-hexaazatetracyclo[14.11.2.2¹⁸,²¹.1²²,²⁶]dotriaconta-18,20,22(30),23,25,31-hexaene-2,5,8,11,14,29-hexone

Formula:
C46H58O14N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(c(O)c4)-c4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1

Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(c(O)c4)-c4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 8 FractionCSP3: 0.48
AlogP: 1.12 Num_rotatable_bonds: 6
MolWt: 919.0 Num_heavy_atoms: 66
TPSA: 287.54 NumAromaticRings: 3

Unique Aglycone
AD53676
Formula: C40H48O9N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(c(O)c4)-c4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1
HBA: 15 RingCount: 6
HBD: 5 FractionCSP3: 0.4
AlogP: 3.64 Num_rotatable_bonds: 3
MolWt: 756.86 Num_heavy_atoms: 55
TPSA: 208.39 NumAromaticRings: 3

Sugarmoiety
SD00003

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