Glycoside
...
GD114240

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

Formula:
C37H60O12

Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1(C)C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC21C

Aglycone:
CC(C)(O)CCC(=O)C(C)(O)C1(C)C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 8 FractionCSP3: 0.89
AlogP: 1.16 Num_rotatable_bonds: 8
MolWt: 696.88 Num_heavy_atoms: 49
TPSA: 214.44 NumAromaticRings: 0

Unique Aglycone
AD44925
Formula: C31H50O7

Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1(C)C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC21C
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.87
AlogP: 3.33 Num_rotatable_bonds: 5
MolWt: 534.73 Num_heavy_atoms: 38
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O