Glycoside
...
GD138702

Name:
20-amino-15-[(3-{2-[(diaminomethylidene)amino]ethoxy}-4,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14-({3-formyl-1-hydroxytetracyclo[6.6.2.0²,⁷.0¹¹,¹⁵]hexadeca-2(7),3,5-trien-4-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(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C60H66O15N4

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4OCCNC(=N)N)c(Cc4ccc5c(c4C=O)C4(O)CCCC6CCC5CC64)c(O)c(c1C3=O)C2=O

Aglycone:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC6CCC5CC64)c(O)c(c1C3=O)C2=O.N=C(N)NCCO

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.45
AlogP: 3.65 Num_rotatable_bonds: 11
MolWt: 1083.2 Num_heavy_atoms: 79
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
AD55958
Formula: C51H49O10N

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(O)c(Cc4ccc5c(c4C=O)C4(O)CCCC6CCC5CC64)c(O)c(c1C3=O)C2=O
HBA: 11 RingCount: 9
HBD: 7 FractionCSP3: 0.37
AlogP: 6.32 Num_rotatable_bonds: 5
MolWt: 835.95 Num_heavy_atoms: 62
TPSA: 204.68 NumAromaticRings: 4

Sugarmoiety
SD04321

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