Glycoside
...
GD152321

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-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:
C64H72O15N4

Smiles:
CC(=O)Oc1cc(CO)c2c3c1C=Cc1cccc(c1)CC(O)CCC(N)C#CCc1c(OC4OC(C)C(O)C(O)(O)C4OCC4CC5(CCCCC5)NC(=N)N4)c(Cc4ccc5c(c4C=O)C4(O)CCCC4CC5)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)CCCC4CC5)c(O)c(c1C3=O)C2=O.N=C1NC(CO)CC2(CCCCC2)N1

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

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 12 FractionCSP3: 0.48
AlogP: 4.8 Num_rotatable_bonds: 10
MolWt: 1137.29 Num_heavy_atoms: 83
TPSA: 320.74 NumAromaticRings: 4

Unique Aglycone
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
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