Glycoside
...
GD122871

Name:
20-amino-15-{[3-({2-amino-1,3-diazaspiro[5.5]undec-2-en-4-yl}methoxy)-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-14-({9-formyl-9b-hydroxy-2-[(methylamino)methyl]-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(16),12,14,25(29),26-decaen-18-yn-5-yl acetate

Formula:
C66H77O15N5

Smiles:
CNCC1CC2CCc3ccc(Cc4c(O)c5c6c(c4OC4OC(C)C(O)C(O)(O)C4OCC4CC7(CCCCC7)NC(=N)N4)CC#CC(N)CCC(O)Cc4cccc(c4)C=Cc4c(OC(C)=O)cc(CO)c(c4C6=O)C5=O)c(C=O)c3C2(O)C1

Aglycone:
CNCC1CC2CCc3ccc(Cc4c(O)c5c6c(c4O)C(=O)c4c(CO)cc(OC(C)=O)c(c4C6=O)C=Cc4cccc(c4)CC(O)CCC(N)C#CC5)c(C=O)c3C2(O)C1.N=C1NC(CO)CC2(CCCCC2)N1

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

Other Identifiers

Properties
HBA: 20 RingCount: 11
HBD: 13 FractionCSP3: 0.5
AlogP: 4.25 Num_rotatable_bonds: 12
MolWt: 1180.36 Num_heavy_atoms: 86
TPSA: 332.77 NumAromaticRings: 4

Unique Aglycone
AD49554
Formula: C50H50O10N2

Smiles:
CNCC1CC2CCc3ccc(Cc4c(O)c5c6c(c4O)C(=O)c4c(CO)cc(OC(C)=O)c(c4C6=O)C=Cc4cccc(c4)CC(O)CCC(N)C#CC5)c(C=O)c3C2(O)C1
HBA: 12 RingCount: 8
HBD: 8 FractionCSP3: 0.36
AlogP: 4.81 Num_rotatable_bonds: 7
MolWt: 838.95 Num_heavy_atoms: 62
TPSA: 216.71 NumAromaticRings: 4
AD49555
Formula: C10H19ON3

Smiles:
N=C1NC(CO)CC2(CCCCC2)N1
HBA: 4 RingCount: 2
HBD: 4 FractionCSP3: 0.9
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 197.28 Num_heavy_atoms: 14
TPSA: 68.14 NumAromaticRings: 0

Sugarmoiety
SD04321

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