Glycoside
...
GD128171

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

Formula:
C49H82O21

Smiles:
CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OCC(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21C

Aglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -2.1 Num_rotatable_bonds: 14
MolWt: 1007.17 Num_heavy_atoms: 70
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD06943
Formula: C27H46O4

Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 5
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD03104

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O