Glycoside
...
GD115791

Name:
2,7-dihydroxy-1-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-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-10-one

Formula:
C36H56O11

Smiles:
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C

Aglycone:
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 7 FractionCSP3: 0.83
AlogP: 1.57 Num_rotatable_bonds: 8
MolWt: 664.83 Num_heavy_atoms: 47
TPSA: 194.21 NumAromaticRings: 0

Unique Aglycone
AD45867
Formula: C30H46O6

Smiles:
C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
HBA: 6 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 3.75 Num_rotatable_bonds: 5
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 115.06 NumAromaticRings: 0

Sugarmoiety
SD00003

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