Glycoside
...
GD115609

Name:
6-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-8-{[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-1-yl)-2-methyl-5-oxohept-3-en-2-yl acetate

Formula:
C38H60O11

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC12C

Aglycone:
CC(=O)OC(C)(C)C=CC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 6 FractionCSP3: 0.84
AlogP: 2.82 Num_rotatable_bonds: 8
MolWt: 692.89 Num_heavy_atoms: 49
TPSA: 183.21 NumAromaticRings: 0

Unique Aglycone
AD45765
Formula: C32H50O6

Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)CCC12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.81
AlogP: 5.0 Num_rotatable_bonds: 5
MolWt: 530.75 Num_heavy_atoms: 38
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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