Glycoside
...
GD129662

Name:
12-[7'-(3-amino-3-hydroxypropyl)-7'-(1H-imidazol-4-yl)-2'-oxo-1',2',3'a,4',7',7'a-hexahydrospiro[cyclopentane-1,3'-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:
C57H84O12N6

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)C8(CCCC8)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)C8(CCCC8)C67)C(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 11
HBD: 13 FractionCSP3: 0.79
AlogP: 4.45 Num_rotatable_bonds: 12
MolWt: 1045.33 Num_heavy_atoms: 75
TPSA: 313.34 NumAromaticRings: 2

Unique Aglycone
AD52528
Formula: C52H76O8N6

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)C8(CCCC8)C67)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 14 RingCount: 10
HBD: 11 FractionCSP3: 0.77
AlogP: 5.99 Num_rotatable_bonds: 10
MolWt: 913.21 Num_heavy_atoms: 66
TPSA: 254.42 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O