Glycoside
...
GD133081

Name:
12-[7-(3-amino-3-hydroxypropyl)-3-(hydroxymethyl)-7-(1H-imidazol-4-yl)-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indol-4-yl]-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:
C54H80O13N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(C6C=CC(CCC(N)O)(c7cnc[nH]7)C7N=C(O)C(CO)C67)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(C6C=CC(CCC(N)O)(c7cnc[nH]7)C7N=C(O)C(CO)C67)C(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 14 FractionCSP3: 0.78
AlogP: 2.5 Num_rotatable_bonds: 13
MolWt: 1021.26 Num_heavy_atoms: 73
TPSA: 333.57 NumAromaticRings: 2

Unique Aglycone
AD53872
Formula: C49H72O9N6

Smiles:
CC1(CO)CCC2(C(=O)O)CC(Cc3cnc[nH]3)C3(C)C(=CCC4C5(C)C(C6C=CC(CCC(N)O)(c7cnc[nH]7)C7N=C(O)C(CO)C67)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 15 RingCount: 9
HBD: 12 FractionCSP3: 0.76
AlogP: 4.04 Num_rotatable_bonds: 11
MolWt: 889.15 Num_heavy_atoms: 64
TPSA: 274.65 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O