Glycoside
...
GD123136

Name:
12-(7'-{3-amino-3-hydroxy-2-[(methylamino)methyl]propyl}-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:
C59H89O12N7

Smiles:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(OC3OCC(O)C(O)C3O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CC(Cc6cnc[nH]6)C54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O

Aglycone:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CC(Cc6cnc[nH]6)C54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 14 FractionCSP3: 0.8
AlogP: 3.9 Num_rotatable_bonds: 14
MolWt: 1088.4 Num_heavy_atoms: 78
TPSA: 325.37 NumAromaticRings: 2

Unique Aglycone
AD49670
Formula: C54H81O8N7

Smiles:
CNCC(CC1(c2cnc[nH]2)C=CC(C2C(O)C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CC(Cc6cnc[nH]6)C54C)C23C)C2C1N=C(O)C21CCCC1)C(N)O
HBA: 15 RingCount: 10
HBD: 12 FractionCSP3: 0.78
AlogP: 5.43 Num_rotatable_bonds: 12
MolWt: 956.28 Num_heavy_atoms: 69
TPSA: 266.45 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O