Glycoside
...
GD121347

Name:
7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-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-hexaene-2,5,8,11,14,30-hexone

Formula:
C46H58O15N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(O)=NC(C)C(O)=NC(CO)C(=O)N2C)N(C)C3=O)cc1

Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(CO)C(=O)N2C)N(C)C3=O)cc1

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 8 FractionCSP3: 0.48
AlogP: 0.51 Num_rotatable_bonds: 7
MolWt: 935.0 Num_heavy_atoms: 67
TPSA: 296.77 NumAromaticRings: 3

Unique Aglycone
AD48837
Formula: C40H48O10N6

Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(CO)C(=O)N2C)N(C)C3=O)cc1
HBA: 16 RingCount: 6
HBD: 5 FractionCSP3: 0.4
AlogP: 3.04 Num_rotatable_bonds: 4
MolWt: 772.86 Num_heavy_atoms: 56
TPSA: 217.62 NumAromaticRings: 3

Sugarmoiety
SD00003

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