Glycoside
...
GD137596

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-methylheptan-2-yl)-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one

Formula:
C54H90O23

Smiles:
CC(CCC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C

Aglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 8
HBD: 14 FractionCSP3: 0.94
AlogP: -2.0 Num_rotatable_bonds: 16
MolWt: 1107.29 Num_heavy_atoms: 77
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD01522
Formula: C30H50O4

Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 5.68 Num_rotatable_bonds: 5
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD04707

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O