Glycoside
...
GD130115

Name:
20-amino-14-{[3-(diaminomethyl)-2-formylphenyl]methyl}-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-15-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]pentacyclo[23.3.1.1⁸,¹².0⁴,⁹.0¹¹,¹⁶]triaconta-1(28),2,4(9),5,7,11(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C48H49O14N3

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4O)c(Cc4cccc(C(N)N)c4C=O)c(O)c(c1C3=O)C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(C(N)N)c4C=O)c(O)c(c1C3=O)C2=O

Sugarmoiety:
CC1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 13 FractionCSP3: 0.33
AlogP: 1.17 Num_rotatable_bonds: 8
MolWt: 891.93 Num_heavy_atoms: 65
TPSA: 315.64 NumAromaticRings: 4

Unique Aglycone
AD52405
Formula: C42H39O9N3

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4cccc(C(N)N)c4C=O)c(O)c(c1C3=O)C2=O
HBA: 12 RingCount: 6
HBD: 10 FractionCSP3: 0.24
AlogP: 3.35 Num_rotatable_bonds: 6
MolWt: 729.79 Num_heavy_atoms: 54
TPSA: 236.49 NumAromaticRings: 4

Sugarmoiety
SD04321

CC1OC(O)C(O)C(O)(O)C1O