Glycoside
...
GD125933

Name:
{[6-hydroxy-6-(2-hydroxy-8-{[hydroxy({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2-methyl-5-oxoheptan-2-yl]oxy}({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Formula:
C42H68O23P2

Smiles:
CC(C)(CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OP(=O)(O)OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C)OP(=O)(O)OC1OC(CO)C(O)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 12 FractionCSP3: 0.88
AlogP: -0.97 Num_rotatable_bonds: 15
MolWt: 1002.93 Num_heavy_atoms: 67
TPSA: 383.49 NumAromaticRings: 0

Unique Aglycone
AD50933
Formula: C30H48O13P2

Smiles:
CC(C)(CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OP(=O)(O)O)C(=O)C4(C)C)C3(C)C(=O)CC12C)OP(=O)(O)O
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.83
AlogP: 3.39 Num_rotatable_bonds: 9
MolWt: 678.65 Num_heavy_atoms: 45
TPSA: 225.19 NumAromaticRings: 0

Sugarmoiety
SD00019

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