Glycoside
...
GD134332

Name:
20-amino-15-[(6-cyclopentyl-3-{2-[(diaminomethylidene)amino]ethoxy}-4,4,5-trihydroxyoxan-2-yl)oxy]-14-({9-formyl-9b-hydroxy-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[a]naphthalen-8-yl}methyl)-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxopentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11,13,15,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C61H68O15N4

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C5CCCC5)C(O)C(O)(O)C4OCCNC(=N)N)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O

Aglycone:
C1CCCC1.CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O.N=C(N)NCCO

Sugarmoiety:
OC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.46
AlogP: 3.87 Num_rotatable_bonds: 12
MolWt: 1097.23 Num_heavy_atoms: 80
TPSA: 334.73 NumAromaticRings: 4

Unique Aglycone
AD44928
Formula: C3H9ON3

Smiles:
N=C(N)NCCO
HBA: 4 RingCount: 0
HBD: 5 FractionCSP3: 0.67
AlogP: -1.54 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 82.13 NumAromaticRings: 0
AD45286
Formula: C5H10

Smiles:
C1CCCC1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 1.0
AlogP: 1.95 Num_rotatable_bonds: 0
MolWt: 70.14 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD48709
Formula: C48H45O10N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)c(O)c(c1C3=O)C2=O
HBA: 11 RingCount: 8
HBD: 7 FractionCSP3: 0.33
AlogP: 5.37 Num_rotatable_bonds: 5
MolWt: 795.88 Num_heavy_atoms: 59
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD04461

OC1OC(O)C(O)C(O)(O)C1O