Glycoside
...
GD136594

Name:
12-({3-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)-3-[({2-[(3-methylbutyl)amino]ethyl}amino)methyl]butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-11-hydroxy-2,9-bis(hydroxymethyl)-6-[(1H-imidazol-5-yl)methyl]-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C63H102O12N8

Smiles:
CC(C)CCNCCNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O

Aglycone:
CC(C)CCNCCNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 10
HBD: 15 FractionCSP3: 0.84
AlogP: 4.95 Num_rotatable_bonds: 22
MolWt: 1163.55 Num_heavy_atoms: 83
TPSA: 337.4 NumAromaticRings: 2

Unique Aglycone
AD55223
Formula: C58H94O8N8

Smiles:
CC(C)CCNCCNCC(CC(c1cnc[nH]1)C1N=C(O)C2(CCCC2)C1CC1C(O)C(O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)CC(Cc5cnc[nH]5)C43C)C12C)C(N)O
HBA: 16 RingCount: 9
HBD: 13 FractionCSP3: 0.83
AlogP: 6.49 Num_rotatable_bonds: 20
MolWt: 1031.44 Num_heavy_atoms: 74
TPSA: 278.48 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O