Glycoside
...
GD152386

Name:
10-[(4-methoxyphenyl)methyl]-4,7,9,13,15-pentamethyl-2,5,8,11,14,30-hexaoxo-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-18,20,23(31),24,26,32-hexaen-28-yl acetate

Formula:
C47H58O16N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)C(OC(C)=O)C(N=C3O)C(O)=NC(C)C(O)=NC(C)C(=O)N2C)cc1

Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(OC(C)=O)C(N=C3O)C(O)=NC(C)C(O)=NC(C)C(=O)N2C)cc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 8 FractionCSP3: 0.47
AlogP: 2.1 Num_rotatable_bonds: 7
MolWt: 963.01 Num_heavy_atoms: 69
TPSA: 315.12 NumAromaticRings: 3

Unique Aglycone
AD60678
Formula: C41H48O11N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(OC(C)=O)C(N=C3O)C(O)=NC(C)C(O)=NC(C)C(=O)N2C)cc1
HBA: 17 RingCount: 6
HBD: 5 FractionCSP3: 0.39
AlogP: 4.62 Num_rotatable_bonds: 4
MolWt: 800.87 Num_heavy_atoms: 58
TPSA: 235.97 NumAromaticRings: 3

Sugarmoiety
SD00003

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