Glycoside
...
GD135013

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

Formula:
C44H74O18

Smiles:
CC(CO)CCC(O)C(C)C1C(OC2OCC(O)C(O)C2O)CC2C3CCC4=CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 12 FractionCSP3: 0.95
AlogP: -1.59 Num_rotatable_bonds: 14
MolWt: 891.06 Num_heavy_atoms: 62
TPSA: 298.14 NumAromaticRings: 0

Unique Aglycone
AD54613
Formula: C27H46O4

Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CCC4=CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 4.3 Num_rotatable_bonds: 6
MolWt: 434.66 Num_heavy_atoms: 31
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD05517

OC1COC(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O