Glycoside
...
GD119516

Name:
N-(1-{[10-(2-carbamoyl-1-hydroxyethyl)-4-(2-carbamoylethyl)-13-ethylidene-21-hydroxy-35-(1-hydroxyethyl)-27-methoxy-31-methyl-3,6,9,12,15,25,29,33,36-nonaoxo-2,5,8,11,14,24,26,30,34,37-decaazatetracyclo[14.12.9.1¹⁸,²².0²³,²⁷]octatriaconta-18,20,22(38),23-tetraen-32-yl]carbamoyl}prop-1-en-1-yl)-2-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetradeca-4,6-dienamide

Formula:
C63H90O23N14

Smiles:
CC=C1N=C(O)C2Cc3ccc(O)c(c3)C3=NC(O)=NC3(OC)CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(C=CC=CCCCCCCC)OC1OCC(O)C(O)C1O)C(O)=NC(C(C)O)C(O)=N2

Aglycone:
CC=C1N=C(O)C2Cc3ccc(O)c(c3)C3=NC(O)=NC3(OC)CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(O)C=CC=CCCCCCCC)C(O)=NC(C(C)O)C(O)=N2

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 5
HBD: 22 FractionCSP3: 0.56
AlogP: 4.02 Num_rotatable_bonds: 23
MolWt: 1411.49 Num_heavy_atoms: 100
TPSA: 628.31 NumAromaticRings: 1

Unique Aglycone
AD47898
Formula: C58H82O19N14

Smiles:
CC=C1N=C(O)C2Cc3ccc(O)c(c3)C3=NC(O)=NC3(OC)CC(N=C(O)C(CCC(=N)O)N=C(O)CN=C(O)C(C(O)CC(=N)O)N=C1O)C(O)=NC(C)C(N=C(O)C(=CC)N=C(O)C(O)C(O)C=CC=CCCCCCCC)C(O)=NC(C(C)O)C(O)=N2
HBA: 33 RingCount: 4
HBD: 20 FractionCSP3: 0.52
AlogP: 5.56 Num_rotatable_bonds: 21
MolWt: 1279.37 Num_heavy_atoms: 91
TPSA: 569.39 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O